DAVE, Data Analysis and Visualization Environment

National Institute of Standards and Technology

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[1] DAVE: A comprehensive software suite for the reduction, visualization, and analysis of low energy neutron spectroscopic data , R.T. Azuah, L.R. Kneller, Y. Qiu, P.L.W. Tregenna-Piggott, C.M. Brown, J.R.D. Copley, and R.M. Dimeo, J. Res. Natl. Inst. Stan. Technol. 114, 341 (2009).

Note: For 2006 forward, items marked with a * include citations or acknowledgments of use of DAVE or its modules in their text, while for all others the authors personally acknowledge use of DAVE software.

Submitted, In press, 2009, 2008, 2007, 2006, 2005, 2004, 2003

Submitted

Temperature, magnetic field, and pressure dependence of the crystal and magnetic structures of the magnetocaloric compound Mn_1.1Fe_0.9(P_0.8Ge_0.2), D.M. Liu, Q.Z. Huang, M. Yue, J.W. Lynn, L.J. Liu, Y. Chen, Z.H. Wu, and J.X. Zhang, J. Phys.: Condens Matter (SUBMITTED).

In press

The internal kinematics of the HII galaxy II Zw 40, V. Bordalo, H. Plana, and E. Telles, Astrophys. J. (IN PRESS).

Nanoscale freezing of the 2D spin liquid Pr₃Ga₅SiO₁₄, H.D. Zhou, C.R. Wiebe, Y.J. Yo, L. Balicas, Y. Takano, M.J. Case, Y. Qiu, J.R.D. Copley, and J.S. Gardner, Phys. Rev. Lett. (IN PRESS).

2009 (41 publications: 22 in text, 19 personal acknowledgments)

* DAVE: A comprehensive software suite for the reduction, visualization, and analysis of low energy neutron spectroscopic data, R.T. Azuah, L.R. Kneller, Y. Qiu, P.L.W. Tregenna-Piggott,C.M. Brown, J.R.D. Copley, and R.M. Dimeo, J. Res. Natl. Inst. Stan. Technol. 114,341 (2009).

* Simple quantum visualizations using IDL, R. Dimeo, NIST Special Publication 1098 (2009).

* Neutron scattering evidence for isolated spin-1/2 ladders in (C₅D₁₂N)₂CuBr₄, A.T. Savici, G.E. Granroth, C.L. Broholm, D.M. Pajerowski, C.M. Brown, D.R. Talham, M.W. Meisel, K.P. Schmidt, G.S. Uhrig, and S.E. Nagler, Phys. Rev. B 80,094411 (2009).

* Observation of local thickness fluctuations in surfactant membranes using neutron spin echo, M. Nagao, Phys. Rev. E 80, 031606 (2009).

* Ferromagnetism in Co₇(TeO₃)₄Br₆: A byproduct of complex antiferromagnetic order and single-ion anisotropy, M. Prester, I. Živković, O. Zaharko, D. Pajić, P. Tregenna-Piggott, and H. Berger, (2009).

* Full fitting analysis of the relative intermediate form factor measured by neutron spin echo, M. Nagao and H. Seto, Physica B 404, 2603 (2009).

* Dynamics in multicomponent polyelectrolyte solutions, S. Lee, V.R. Tirumala, M. Nagao, T. Tominaga, E.K. Lin, J.P. Gong, and W.-l. Wu, Macromolecules 42, 1293 (2009).

* Time-of-flight spectroscopy at the NIST Center for Neutron Research, J.R.D. Copley, C.M. Brown, and Y. Qiu, Neutron News 20, Issue2, 28 (2009).

* Dynamics of polyrotaxane investigated by neutron spine echo, K. Mayumi, M. Nagao, H. Endo, N. Osaka, M. Shibayama, and K. Ito, Physica B 404, 2600 (2009).

Hydrogen in nonstoichiometric cubic niobium carbides: neutron vibrational spectroscopy and neutron diffraction studies, A.V. Skripov, H. Wu, T.J. Udovic, Q. Huang, R. Hempelmann, A.V. Soloninin, A.A. Rempel, and A.I. Gusev, J. Alloys Compds. 478, 68 (2009).

* Dynamics of water in voids between well-defined and densely packed spherical nanocages acting as polyprotic inorganic acids, A. Faraone, E. Fratini, A.M. Todea, B. Krebs, A. Müller, and P. Baglioni, J. Phys. Chem. C 113, 8635 (2009).

* The impact of hydration water on the dynamics of side chains of hydrophobic peptides: From dry powder to highly concentrated solutions, D. Russo, J. Teixeira, and J. Ollivier, J. Chem. Phys. 130, 235101 (2009).

* Single particle dynamics of water confined in a hydrophobically modified MCM-41-S nanoporous matrix, A. Faraone, K.-H. Liu, C.-Y. Mou, Y. Zhang, and S.-H. Chen, J. Chem. Phys. 130, 134512 (2009).

* Direct analysis of the ion-hopping process associated with the α-relaxation in perfluorosulfonate ionomers using quasielastic neutron scattering, K.A. Page, J.K. Park, R/B/ Moore, and V. García Sakai, Macromolecules 42, 2729 (2009).

* Effect of LiClO₄ on the structure and mobility of PEO-based solid polymer electrolytes, S.K. Fullerton-Shirey, and J.K. Maranas, Macromolecules 42,2142 (2009).

* Bending elasticity of saturated and unsaturated phospholipid membranes studied by the neutron spin echo technique, Z. Yi, M. Nagao, and D.P. Bossev, J. Phys.:Condens. Matter 21, 155104 (2009).

* Adsorption and melting of hydrogen in potassium-intercalated graphite, J.J. Purewal, J.B. Keith, C.C. Ahn, and B. Fultz, Phys. Rev. B 79, 054305 (2009).

* Single-ion anisotropy and exchange interactions in the cyano-bridged trimers MnM(CN) (M = Co, Cr, Fe) species incorporating [Mn(5-Brsalen)] units: An inelastic neutron scattering and magnetic susceptibility study, P.L.W. Tregenna-Piggott, D. Sheptyakov, L. Keller, S.I. Klokishner, S.M. Ostrovsky, A.V. Palii, O.S. Reu, J. Bendix, T. Brock-Nannestad, K. Pederson, H. Weihe, and H. Mutka, Inorg. Chem. 48, 128 (2009).

* A VLT VIMOS study of the anamolous BCD Mrk 996: mapping the ionised gas kinematics and abundances, B.L. James, Y.G. Tsamis, M.J. Barlow, M.S. Westmoquette, J.R. Walsh, F. Cuisinier, and K.M. Exter, Mon. Not. R. Astron. Soc. 000, 1 (2009).

* Neutron scattering measurements of the phonon density of states of FeSe_1-x superconductors, D. Phelan, J.N. Millican, E.L. Thomas, J.B. Leão, Y. Qiu, and R. Paul, Phys. Rev. B. 79, 014519 (2009).

* Study of hydrogen diffusion in superprotonic ionic conductors, MHXO₄, by µ⁺SR and QENS, Y. Ikedo, H. Nozaki, M. Harada, J. Sugiyama, T.J. Sato, Y. Matsuo, K. Nishiyama, J.S. Lord, Y. Qiu, J.R.D. Copley, Nucl. Instrum. Meth. A 600, 316 (2009).

* Revisiting static and dynamic spin-ice correlations in Ho₂Ti₂O₇ with neutron scattering, J.P. Clancy, J.P.C. Ruff, S.R. Dunsiger, Y. Zhao, H.A. Dabkowska, J.S. Gardner, Y. Qiu, J.R.D. Copley, T. Jenkins, and B.D. Gaulin, Phys. Rev. B 79, 14408 (2009).

Tunable (δπ,δπ)-type antiferromagnetic order in α-Fe(Te,Se) superconductors, W. Bao, Y. Qiu, Q. Huang, M.A. Green, P. Zajdel, M.R. Fitzsimmons, M. Zhernenkov, S. Chang, M. Fang, B. Qian, E.K. Vehstedt, J. Yang, H.M. Pham, L. Spinu, and Z.Q. Mao, Phys. Rev. Lett. 102, 247001 (2009).

Commensurate magnetic structure of CeRhIn_4.85Hg_0.15, W. Bao, Y.C. Gasparovic, J.W. Lynn, F. Ronning, E.D. Bauer, J.D. Thompson, and Z. Fisk, Phys. Rev. B 79, 092415 (2009).

Rotational bands in open antiferromegnetic rings: A neutron spectroscopy study of Cr₈Zn, A. Bianchi, S. Caretta, P. Santini, G. amoretti, T. Guigi, Y. Qiu, J.R.D. Copley, G. Timco, C. Muryn, and R.E.P. Winpenny, Phys. Rev. B 79, 144422 (2009).

Synthesis and magnetic characterization of TmCo₂B₂C, M. ElMassalami, R.E. Rapp, F.A.B. Chaves, R. Moreno, H. Takeya, B. Ouladdiaf, J.W. Lynn, Q. Huang, R.S. Freitas, and N. F. Oliveria Jr., J. Phys.: Condens. Matter 21, 046007 (2009).

Lattice collapse and quenching of magnetism in CaFe₂As₂ under pressure: A single-crystal neutron and x-ray diffraction investigation, A.I. Goldman, A. Kreyssig, K. Prokeš, D.K. Pratt, D.N. Argyriou, J.W. Lynn, S. Nandi, S.A.J. Kimber, Y. Chen, Y.B. Lee, G. Samolyuk, J.B. Leão, S.J. Poulton, S.L. Bud'ko, N. Ni, P.C. Canfield, B.N. Harmon, and R.J. McQueeney, Phys. Rev. B 79, 024513 (2009).

Spin gap and magnetic resonance in superconducting BaFe_1.9Ni_0.1As₂, S. Li, Y. Chen, S. Chang, J.W. Lynn, L. Li, Y. Luo, G. Cao, Z. Xu, and P. Dai, Phys. Rev. B 79, 174527 (2009).

First-order magnetic and structureal phase transitions in Fe_1+ySe_xTe_1-x, S. Li, C. de la Cruz, Q. Huang, Y. Chen, J.W. Lynn, J. Hu, Y.-L. Huang, F.-C. Hsu, K.-W. Yeh, M.-K. Wu, and P. Dai, Phys. Rev. B 79, 054503 (2009).

Antiferromagnetism in the magnetoelectric effect single crystal LiMnPO₄, J. Li, W. Tian, Y. Chen, J.L. Zaretsky, J.W. Lynn, and D. Vaknin, Phys. Rev. B 79, 144410 (2009).

Tweaking the spin-wave disperson and suppressing the incommensurate phase in LiNiPO₄ by iron substitution, J. Li, T.B.S. Jensen, N.H. Andersen, J.L. Zarestky, R.W. McCallum, J.-H. Chung, J.W. Lynn, and D. Vaknin, Phys. Rev. B 79, 174435 (2009).

Origin and tuning of the magnetocaloric effect in the magnetic refrigerant Mn_1.1Fe_0.9(P_0.8Ge_0.2), D. Liu, M. Yue, J. Zhang, T.M. McQueen, J.W. Lynn, X. Wang, Y. Chen, J. Li, R.J. Cava, X. Liu, Z. Altounian, and Q. Huang, Phys. Rev. B 79, 014435 (2009).

Intrinsic localized modes observed in the high-temperature vibrational spectrum of NaI, M.E. Manley, A.J. Sievers, J.W. Lynn, S.A. Kiselev, N.I. Agladze, Y. Chen, A. Llobet, and A. Alatas, Phys. Rev. B 79, 134304 (2009).

Phonon softening and anamolous mode near the x_c=0.5 quantum critical point in Ca_2-xSr_xRuO₄, R.G. Moore, M.D. Lumsden, M.B. Strone, J. Zhang, Y. Chen, J.W. Lynn, R. Jin, D. Mandrus, and E.W. Plummer, Phys. Rev. B 79, 172301 (2009).

Magnetic structure of the high-density single-valent e_g Jahn-Teller system LaMn₇O₁₂, A. Prodi, E. Gilioli, R. Cabassi, F. Bolzoni, F. Licci, Q. Huang, J.W. Lynn, M. Affronte, A. Gauzzi, and M. Marezio, Phys. Rev. B 79, 085105 (2009).

Hydrogen trapping at dislocations in palladium at low temperature: Results from inelastic neutron scattering and advanced computations, B.J. Heuser, H. Ju, D.R. Trinkle, and T.J. Udovic, Proceedings of the 2008 International Hydrogen Conference (B. Somerday, P. Sofronis, and R. Jones, eds.) ASM International, p. 464-468 (2009).

Crystal chemistry and dehydrogenation/rehydrogrenation properties of perovskite hydrides RbMgH₃, H. Wu, W. Zhou, T.J. Udovic, J.J. Rush, and T. Yildirim, J. Phys. Chem. C 113, 15091 (2009).

Characterization of fly ash reactivity in hydrating cement by neutron scattering, W. Bumrongjaroen, R.A. Livingston, D.A. Neumann, and A.J. Allen, J. Mater. Res. 24, 2435 (2009).

Role of cation size on the structural behavior of the alkali-metal dodecahydro-closo-dodecaborates, J.-H. Her, W. Zhou, V. Stavila, C. M. Brown, and T. J. Udovic, J. Phys. Chem. C 113, 11187 (2009).

Crystal structure, neutron vibrational spectroscopy, and DFT calculations of Li₂B₁₂H₁₂-4H₂O, M. Yousufuddin, J.-H. Her, W. Zhou, S. S. Jalisatgi, and T. J. Udovic, Inorg. Chim. Acta 362, 3155 (2009).

* Hydrogen absorption in HKUST-1: A combbined inelstic neutron scattering and first-principles study, C. M. Brown, Y. Liu, T. Yildirim, V. K. Peterson, and C. J. Kepert, Nanotechnology 20, 204025 (2009).

2008 (65 publications: 20 in text, 45 personal acknowledgments)

* Reduction of data from inverted-geometry time-of-flight instruments, P.L.W. Tregenna-Piggott, F. Juranyi, P. Christiansen, P.K. Willendrup, and K. Leffmann, J. Neutron Res. 16, 13 (2008).

* Introducing the inverted-geometry time-of-flight backscattering instrument, MARS at SINQ, P.L.W. Tregenna-Piggott, F. Juranyi, and P. Allenspach, J. Neutron Res. 16, 1 (2008).

Polaron formation in the optimally doped ferromagnetic manganites La_0.7Sr_0.3MnO₃ and La_0.7Ba_0.3MnO₃, Y. Chen, B.G. Ueland, J.W. Lynn, G.L. Bychkov, S.N. Barilo, and Y.M. Muskovskii, Phys. Rev. B 78, 212301 (2008).

Spin correlations in the geometrically frustrated pyrochlore Tb₂Mo₂O₇, D.K. Singh, J.S. Helton, S. Chu, T. Han, C. Bonnoit, S. Chang, H.J. Kang, J.W. Lynn, and Y.S. Lee, Phys. Rev. B 78 220405 (2008).

Spin dynamics in the magnetoelectric effect LiCoPO₄ compoint, W. Tian, J. Li, J.W. Lynn, J.L. Zarestky, and D. Vaknin, Phys. Rev. B 78, 184429 (2008).

Quasi-free methyl rotation in zeolytic imadazolate framework-8, W. Zhou, H. Wu, T.J. Udovic, J.J. Rush, and T. Yildirim, J. Phys. Chem. A 112, 12602 (2008).

Molecular H₂ trapped in AlH₃ solid, L. Senadheera, E.M. Carl, T.M. Ivancic, M.S. Conradi, R.C. Bowman Jr., S.-J. Hwang and T.J. Udovic, J. Alloys Compounds 463,1 (2008).

Vibrational density of states measurement of hydrogen trapped at islocations in deformed PdH_0.0008, B.J. Heuser, T.J. Udovic, H. Ju, Phys. Rev. B 78, 214101 (2008).

* Inelastic neutron scattering from confined molecular oxygen, D. Kilburn, P.E. Sokol, and C.M. Brown, Phys. Rev. B 78, 132410 (2008).

* Spin waves and quantum criticality in the frustrated XY pyrochlore antiferromagnet Er₂Ti₂0₇, J.P.C. Ruff, J.P. Clancy, A. Bourque, M.A. White, M/ Ramazanoglu, J.S. Gardner, Y. Qiu, J.R.D. Copley, M.B. Johnson, H.A. Dabkowska, and B.D. Gaulin, Phys. Rev. Lett. 101, 147205 (2008).

* Neutron scattering study of the excitation spectrum of solid helium at ultra-low temperatures, E. Blackburn, J.M. Goodkind, S.K. Sinha, C. Broholm, J.R.D. Copley, and R.W. Erwin, Journal of Physics 71, 673 (2008).

* Molecular dynamics in DTGS(ND₃) by quasielastic and inelastic neutron scattering, V. Tripadus, D. Aranghel, M. Statescu, and A. Buchsteiner, Chem. Phys. 353, 59 (2008).

* Bending modulus of lipid bilayers in a liquid-crystalline phase including an anomolous swelling regime estimated by neutron spin echo experiments, H. Seto, N.L. Yamada, M. Nagao, M. Hishida, and T. Takeda, Eur. Phys. J. E 26, 217 (2008).

Impact of oxygen annealing on the heat capacity and magnetic resonance of superconducting Pr_0.88LaCe_0.12CuO_4-δ, S. Li, S. Chi, J. Zhao, H.-H. Wen, M. B. Stone, J. W. Lynn, and P. Dai, Phys. Rev. B 78, 014520 (2008).

Raman, FTIR, photoacoustic-FTIR and inelastic neutron scattering spectra of alkaline earth and lanthanide salts of hexahydridoruthenate(II), A₂RuH₆, (A=Ca, Sr, Eu) and their deuterides, M. Barsan, D. Gilson, I. Butler, R. Moyer Jr., W. Zhou, H. Wu, and T.J. Udovic, J. Phys. Chem. A 112,6936 (2008).

Dynamic spin ice: Pr₂Sn₂O₇, H.D. Zhou, C.R. Wiebe, J.A. Janik, L. Balicas, Y.J. Yo, Y. Qiu, J.R.D. Copley, and J.S. Gardner, Phys. Rev. Lett. 101, 227204 (2008).

Specific heat and magnetic susceptibility of the spinels GeNi₂O₄ and GeCo₂O₄, J.C. Lashley, R. Stevens, M.K. Crawford, J. Boerio-Goates, B.F. Woodffield, Y. Qiu, J.W. Lynn, P.A. Goddard, and R.A. Fisher, Phys. Rev. B. 78, 104406 (2008).

External magnetic field effects on a distorted kagome antiferromagnet, J.-H. Kim, S. Ji, S.-H. Lee, B. Lake, T. Yildirim, H. Nojiri, H. Kikuchi, K. Habicht, Y. Qiu, and K. Kiefer, Phys. Rev. Lett. 101, 107201 (2008).

Quantum oscillations of the total spin in a heterometallic antiferromagnetic ring, T. Guigi, S. Carretta, P. Santini, G. Amoretti, R. Caciuffo, A. Hiess, J.R.D. Copley, Y. Qiu, G. Timco, and R.E.P. Winpenny, Notiziario Neutroni e Luce di Sincrotrone 13 (2),4 (2008).

Inelastic neutron scattering investigations of molecular nanomagnets, G. Amoretti, R. Caciuffo, S. Carretta, T. Guidi, N. Magnani, and P. Santini, Inorganica Chimica Acta 361, 3771 (2008).

Crystal structure of Li₂B₁₂H₁₂: a possible intermediate species in the decompoition of LiBH₄, J.-H. Her, M. Yousufuddin, W. Zhou, S. S. Jalisatgi, J. G. Kulleck, J. A. Zan, S.-J. Hwang, R. C. Bowman, Jr., and T. J. Udovic, Inorg. Chem. 47,9757 (2008).

A reversible structure transition of MIL-53 with temperature hysteresis, Y. Liu, J.-H. Her, A. Dailly, A.J. Ramirez-Cuesta, D.A. Neumann, and C.M. Brown, J. Am. Chem. Soc. 130, 11813 (2008).

* Aqueous peptides as experimental models for hydration water dynamics near protein surfaces, C. Malardier-Jugroot, M.E. Johnson, R.K. Murarka, and T. Head-Gordon, Phys. Chem. Chem. Phys. 10, 4903 (2008).

Structural studies of decomposition in Fe-x at.%Ga alloys, H. Cao, F. Bai, J.F. Li, D.D. Viehland, T.A. Lograsso, and P.M. Gehring, J. Alloys Compounds 465,244 (2008).

Single ferroelectric and chiral magnetic domain of single-crystalline BiFeO₃ in an electric field, S. Lee, T. Choi, W. Ratcliff II, R. Erwin, S.-W. Cheong, and V. Kiryukhin, Phys. Rev. B 78, 100101(R) (2008).

Observation of a continuous phse transition in a shape-memory alloy, J.C. Lashley, S.M. Shapiro, B.L. Winn, C.P. Opeil, M.E. Manley, A. Alatas, W. Ratclisff, T. Park, R.A. Fisher, B. Mihaila, P. Riseborough, E.K.H. Salje, and J.L. Smith, Phys. Rev. Lett. 101, 135703 (2008).

Formation of pancakelike Ising domains and giant magnetic coercivity in ferrimagnetic LuFe₂O₄, W. Wu, V. Kiryukhin, H.-J. Noh, K. -T. Ko, J.-H. Park, W. Ratcliff II, P.A. Sharma, N. Harrison, Y.J. Choi, Y. Horibe, S. Lee, S. Park, H.T. Yi, C.L. Zhang, and S.-W. Cheong, Phys. Rev. Lett. 101, 137203 (2008).

Electric field control, of the magnetic state in BiFeO₃ single crystals, S. Lee, W. Ratcliff, S.W. Cheong, et al., Appl. Phys. Lett. 92, 192906 (2008).

Low energy spin waves and magnetic interactions in SrFe₂As₂, J. Zhao, D.-X. Yao, S. Li, T. Hong, Y. Chen, S. chang, W. Ratcliff II, J.W. Lynn, H.A. Mook, G.F. Chen, J.L. Luo, N.L. Wang, E.W. Carlson, J. Hu and P. Dai, Phys. Rev. Lett. 101, 167203 (2008).

Neutron powder diffraction study of the magnetic and crystal structures of SrFe₂(PO₄)₂, A. A. Belik, Q. Huang, E. Takayama-Muromachi, and J. W. Lynn, J. Solid State Chem. 181, 2292 (2008).

Quantum phase transition in the itinerant antiferromagnet (V_0.9Ti_0.1)₂O₃, H. Kadowaki, K. Motoya, T.J. Sato, J. W. Lynn, J.A. Fernandez-Baca, and J. Kikuchi, Phys. Rev. Lett. 101, 096406 (2008).

Signature of magnetic phase separation in the ground state of Pr_1-xCa_xMnO₃, H. Sha, F. Ye, P. Dai, J. A. Fernandez-Baca, D. Mesa, J.W. Lynn, Y. Tomioka, Y. Tokura, and J. Zhang, Phys. Rev. B 78, 052410 (2008).

Doping evolution of antiferromagnetic order and structural distortion in LaFeAsO_1-xF_x, Q. Huang, J. Zhao, J. W. Lynn, G. F. Chen, J. L. Lou, N.L. Wang, and P. Dai, Phys. Rev. B 78,054529 (2008).

Magnetic switching and phase competition in the multiferroic antiferromagnet Mn,sub>1-xFe_xWO₄, F. Ye, Y. Ren, J.A. Fernandez-Baca, H.A. Mook, J.W. Lynn, R.P. Chaudhury, Y.-Q. Wang, B. Lorenz, and C.W. Chu, Phys. Rev. B 78, 193101 (2008).

The crystalline electric field as a probe for long range antiferromagnetic order and superconductivity in CeFeAsO_1-xF_x, S. Chi, D.T. Adroja, T. Guidi, R. Bewley, S. Li, J. Zhao, J.W. Lynn, C.M. Broen, Y. Qiu, G.F. Chen, J.L. Lou, N.L. Wang, and P. Dai, Phys. Rev. Lett. 101, 217002 (2008).

Structural and magnetic phase diagram of CeFeAsO_1-xF_x and its relationship to high-temperature superconductivity, J. Zhao, Q. Huang, C. de la Cruz, S. Li, J.W. Lynn, Y. Chen, M.A. Green, G.F. Chen, G. Li, Z.C. Li, J.L. Luo, N.L. Wang, and P. Dai, Nature Materials 7, 953 (2008).

Pressure-induced colume-collapsed tetragonal phase of CaFe₂As₂ as seen via neutron scattering, A. Kreyssig, M.A. Green, Y.B. Lee, G.D. Samolyuk, P. Zajdel, J.W. Lynn, S.L. Bud'ko, M.S. Torikachvili, N. Ni, S. Nandi, J. Leão, S.J. Poulton, D.N. Argyriou, B.N. Harmon, P.C. Canfield, R.J. Mcqueeney, and A.I. Goldman, Phys. Rev. B 78,184517 (2008).

Unconventional spin order in the triangular lattice system NaCrO₂: A neutron scattering study, D. Hsieh, D. Qian, R.F. Berger, R.J. Cava, J.W. Lynn, Q. Huang, and M.Z. Hasan, Physica B 403, 1341 (2008).

The pressure effect on the magnetic commensurability and ferroelectricity in multiferroic HoMn₂O₅, C. R. dela Cruz, B. Lorenz, W. Ratcliff, J. Lynn, M. M. Gospodinov, and C. W. Chu, Physica B 403, 1359 (2008).

Intrinsically localized mode in α-uranium as a precursor to a solid-state phase transition, M. E. Manley, J. W. Lynn, Y. Chen, and G. H. Lander, Phys. Rev. B 77, 052301 (2008).

Inelastic neutron scattering study of crystal field levels in PrOs₄As₁₂, S. Chi, P. Dai, T. Barnes, H. J. Kang, J. W. Lynn, R. Bewley, F. Ye, M. B. Maple, Z. Henkie, and A. Pietraszko, Phys. Rev. B 77, 094428 (2008).

Active creation of intrinsically localized vibrations in uranium using x-ray and neutron scattering, M. E. Manley, A. Alatas, F. Trouw, W. L. Hults, B. Leu, J. W. Lynn, and Y. Chen, Phys. Rev. B 77, 214305 (2008).

Structural and magnetic properties of the Ho₂Ge₂O₇ pyrogermanate, E. Morosan, J. A. Fleitman, Q. Huang, J. W. Lynn, Y. Chen, X. Ke, M. L. Dahlberg, P. Schiffer, C. R. Craley and R. J. Cava, Phys. Rev. B 77, 224423 (2008).

Origin of the spin-valve effect and magnetoresistivity in single crystalline Ca₃Ru₂O₇, W. Bao, Z. Q. Mao, Z. Qu, and J. W. Lynn, Phys. Rev. Lett. 100, 247203 (2008).

Neutron-scattering study of the oxypnictide superconductor LaFeAsO_0.87F_0.13, Y. Qiu, M. Kofu, W. Bao, S.-H. Lee, Q. Huang, T. Yildirim, J.R.D. Copley, J.W. Lynn, T. Wu, G. Wu, and X.H. Chen, Phys. Rev. B 78, 052508 (2008).

Field-induced antiferromagnetism and competition in the metamagnetic state of terbium gallium garnet, K. Kamazawa, D. Louca, R. Morinaga, T.J. Sato, Q. Huang, J.R.D. Copley, and Y. Qiu, Phys. Rev. B 78, 064412 (2008).

Structure variations and hydrogen storage properties of Ca₅Si₃ with Cr₅B₃-type structure, H. Wu, W. Zhou, T. J. Udovic, and J. J. Rush, Chem. Phys. Lett. 460,432 (2008).

The design of a bismuth-based auxiliary filter for the removal of spurious backgroudd scattering associated with filter-analyzer neutron spectrometers, T.J. Udovic, C.M. Brown, J.B. Leão, P.C. Brand, R.D. Jiggetts, R. Zeitoun, T.A. Pierce, I. Peral, J.R.D. Copley, Q. Huang, D.A. Neumann, and R.J. Fields, Nucl. Instr. Meth. A588, 406 (2008).

Structures and crystal chemistry of Li₂BNH₆ and Li₄BN₃H₁₀, H. Wu, W. Zhou, T.J. Udovic, J.J. Rush and T. Yildirim, Chem. Mater. 20, 1245 (2008).

Crystal chemistry of Perovskite-type hydride NaMgH₃: Implications for hydrogen storage, H. Wu, W. Zhou, T.J. Udovic, J.J. Rush and T. Yildirim, Chem. Mater. 20, 2335 (2008).

Increasing the density of adsorbed hydrogen with coordinatively unsaturated metal centers in metal-organic frameworks, Y. Liu, H. Kabbour, C.M. Brown, D.A. Neumann, and C.C. Ahn, Langmuir 24, 4772 (2008).

Hydrogen adsorption in MOF-74 studied by inelastic neutron scattering, Y. Liu, C.M. Brown, D.A. Neumann, H. Kabbour, and C.C. Ahn, Life Cycle Analysis for New Energy Conversion and Storage Systems, edited by V.M. Fthenakia, A.C. Dillon, and N. Savage (Mater. Res. Soc. Symp. Proc. Vol. 1041E, Warrendale, PA, 2008), 1040-R2_03 (2008).

* Concentration dependence of shape and structure fluctuations of droplet microemulsions investigated by neutron spin echo spectroscopy, M. Nagao and H. Seto, Phys. Rev. E 78, 011507 (2008).

* The impact of kosmotropes and chaotropes on bulk and hydration shell water dynamics in a model peptide solution, D. Russo, Chem. Phys. 345, 200 (2008).

* The origin of the dynamic transition in proteins, S. Khodadadi, S. Pawlus, J.H. Roh,V. García Sakai, E. Mamontov, and A.P. Sokolov, J. Chem. Phys. 128, 195106 (2008).

* Comparison of explicit atom, united atom, and course-grained simulations of poly(methyl methacrylate), C. Chen, P. Depa, V. García Sakai, and J.K. Maranas, J. Chem. Phys. 128, 124906 (2008).

* Quasielastic neutron scattering of -NH₃ and -BH₃ rotational dynamics in orthorhombic ammonia borane, N.J. Hess, M.R. Hartman, C.M. Brown, E. Mamontov, A. Karkamkar, D.J. Heldebrant, L.L. Daemen, T. Autrey, Chem. Phys. Lett. 459, 85 (2008).

* Dynamics of PEO in blends with PMMA: study of the effects of blend composition via quasi-elastic neutron scattering, V. García Sakai, J.K. Maranas, I. Peral, and J.R.D. Copley, Macromolecules 41, 3701 (2008).

* Microlensing in binary systems, D. Ricci, Proceedings of the Manchester Microlensing Conference: The 12^th International Conference and ANGLES Microlensing Workshop, PoS(GMC8)031 (2008).

Magnetic order close to superconductivity in the iron-based layered LaO_1-xF_xFeAs systems, C. de la Cruz, Q. Huang, J.W. Lynn, J. Li, W. Ratcliff II, J.L. Zarestky, H.A. Mook, G.F. Chen, J.L. Luo, N.L. Wang and P. Dai, Nature 453, 899 (2008).

* Role of hydration water in dynamics of biological macromolecules, A.P. Sokolov, J.H. Roh, E. Mamontov, V. García Sakai, Chem. Phys. 345, 212 (2008).

* Local polymer dynamics in polymer-C₆₀ mixtures, J.M. Kropka, V. García Sakai and P.F. Green, Nanoletters 8, 1061 (2008).

* Spectroscopic and theoretical study of a mononuclear manganese(III) complex exhibiting a tetragonally compressed geometry, Q. Scheifele, C. Riplinger, F. Neese, H. Weihe, A.-L. Barra, F. Juranyi, A. Podlesnyak, and P.L.W. Tregenna-Piggott, Inog. Chem. 47, 439 (2008).

* Studying the galactic outflow in NGC 1569, M.S. Westmoquette, L.J. Smith, and J.S. Gallagher III, Mon. Not. R. Astron. Soc. 383,864-878 (2008).

* Introducing the time-of-flight backscattering instrument, MARS at SINQ, P.L.W. Tregenna-Piggott, F. Juranyi, and P. Allenspach, Neutron News 19, 20 (2008).

2007 (32 publications: 24 in text, 8 personal acknowledgments)

* Gemini/IFU observations of galactic outflows in starburst galaxies, L.J. Smith and M.S. Westmoquette, Proceedings of the International Astronomical Union 3, 379 (2007).

* A Java-based science portal for neutron scattering experiments, S.S. Vazhkudai, J.A. Kohl, and J. Schwidder, ACM International Conference Proceeding Series; Vol. 272 Proceedings of the 5th international symposium on Principles and practice of programming in Java, 21 (2007).

* Gemini GMOS/integral field unit spectroscopy of NGC 1569 – II:Mapping the roots of the galactic outflow, M.S. Westmoquette, L.J. Smith, J.S. Gallagher III and K.M. Exter, Mon. Not. R. Astron. Soc. 381, 913-931 (2007).

* Hubble Space Telescope space telescope imaging spectrograph spectroscopy of the environment in the starburst core of M82, M.S. Westmoquette, L.J. Smith, J.S. Gallagher III, R.W. O'Connell, D.J. Rosario, and R. de Grijs, Astrophys. J. 461, 358-373 (2007).

* Molecular dynamics in ammonium dihydrogen phosphate using incoherent neutron scattering, V. Tripadus, M. Gugiu, M. Statescu, and A. Podlesnyak, Chem. Phys 335, 233-241 (2007).

* Introducing the inverted time-of-flight backscattering instrument, MARS at SINQ, P. Allenspach, F. Juranyi, and P.L.W. Tregenna-Piggott, Swiss Neutron News 31, 16-27 (2007).

* Multitier portal acrhitecture for thin- and thick-neutron scattering experiment support, M. Green and S.D. Miller, Grid Computing Environments Conference Proceedings, http://library.rit.edu/oajournals/index.php/gce/article/view/102/80 (2007).

Quantum-spin-liquid states in the two-dimensional kagome antiferromgnets Zn_xCu_4-x(OD)₆Cl₂, S.-H. Lee, H. Kikuchi, Y. Qiu, B. Lake, Q. Huang, K. Habicht and K. Kiefer, Nature Materials 6, 853-857 (2007).

Dynamics of quantum spin liquid and spin solid phases in IPA-CuCl₃ under an applied magnetic field studied with neutron scattering, A. Zheludev, V.O. Garlea, T. Masuda, H. Manaka, L.-P. Regnault, E. Ressouche, B. Grenier, J.-H. Chung, Y. Qiu, K. Habicht, K. Kiefer and M. Boehm, Phys. Rev. B 76, 054450 (2007).

Magnetic interactions in the geometrically frustrated triangular lattice antiferromagnet CuFeO₂, F. Ye, J.A. Fernandez-Baca, R.S. Fishman, Y. Ren, H.J. Kang, Y. Qiu and T. Kimura, Phys. Rev. Lett. 99, 157201 (2007).

Neutron vibrational spectroscopy of the Pr₂Fe₁₇-based hydrides, T.J. Udovic, W. Zhou, H. Wu, C.M. Brown, J.J. Rush, T. Yildirim, E. Mamontov and O. Isnard, J. All. Com. 446-447, 504-507 (2007).

Inelastic neutron scattering of H₂ adsorbed in HKUST-1, Y. Liu, C.M. Brown, D. A. Neumann, V.K. Peterson, and C.J. Kepert, J. All. Com. 446-447, 385-388 (2007).

Inelastic neutron scattering of H₂ adsorbed on boron substituted single walled carbon nanotubes, Y. Liu, C.M. Brown, J.L. Blackburn, D. A. Neumann, T. Gennett, L. Simpson, P. Parilla, A.C. Dillon, and M.J. Heben, J. All. Com. 446-447, 368-372 (2007).

* Gapped itinerant spin excitations account for missing entropy in the hidden-order state of URu₂Si₂, C.R. Wiebe, J.A. Janik, G.J. MacDougall, G.M. Luke, J.D. Garrett, H.D. Shou, Y.,-J. Jo, L. Balicas, Y. Qiu, J.R.D. Copley, Z. Yamani and J.L. Buyers, Nature Physics 3, 96-100 (2007).

* Studies of intrinsic exchange interactions in Zn(Mn)O, Zn(Mn)S and Zn(Mn)Te at 4 kbar by inelastic neutron scattering, Z.Q. Wiren, H. Kepa, C.M. Brown, J. Leão, S. Kolesnik, B. Dabrowski, J.K. Furdyna, and T.M. Giebultowicz, Physics of Semiconductors: 28th International Conference on the Physics of Semiconductors, W. Jantsch and F.Schaffler, eds., AOP Conference Proceedingd Volume 893, pp. 1197-1198 (2007).

* Gemini GMOS/IFU spectroscopy of NGC 1569 – I:Mapping the properties of a young star cluster and its environment, M.S. Westmoquette, K.M. Exter, L.J. Smith, and J.S. Gallagher III, Mon. Not. R. Astron. Soc. 381, 894 (2007).

* Separable cooperative and localized translational motions of water confined by a chemically heterogeneous environment, C. Malardier-Jugroot and T. Head-Gordon, Chem. Phys. Phys. Chem. 9, 1962 (2007).

* The origin of persistent spin dynamics and residual entropy in the stuffed spin ice Ho_2.3Ti_1.7O_7−δ, H.D. Zhou, C.R. Wiebe, Y.J. Jo, L. Balicas, Y. Qiu, J.R.D. Copley, G. Ehlers, P. Fouquet, and J.S. Gardner, J. Phys.: Condens. Matter 19, 342201 (2007).

* Winds from super star clusters: The interstellar environment in the starburst core of M82, L.J. Smith and M.S. Westmoquette, New Astron. Rev. 51, 135–140 (2007).

* Effects of hydration water on protein methyl group dynamics in solution, D. Russo, G.L. Hura, and J.R.D. Copley, Phys. Rev. E 75, 040902(R) (2007).

* Neutron Spin-Echo measurements on the dynamics of surfactant membranes, M. Nagao, H. Seto and A. Faraone, Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 101 (2007).

Studies of dynamical layering in adsorbed organic films, A.Diama, M.Simpson, H.Taub, F.Y.Hansen, R.M.Dimeo, D.A.Neumann, K.W.Herwig and U.G.Volkmann, Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 89 (2007).

* Mobility of water on oxide surfces studied by QENS, E. Mamontov, Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 13 (2007).

* The effect of the unsaturated double bond on the bending elasticity of lipid membranes studied by Neutron Spin Echo, Zheng Yi and D. Bossev, Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 123 (2007).

* Comparative study of normal and branched alkane monolayer films adsorbed on a solid surface: II. Dynamics, A.D. Enevoldsen, F.Y. Hansen, A. Diama, H. Taub, R.M. Dimeo, D.A. Neumann, and J.R.D. Copley, J. Chem. Phys. 126, 104704 (2007).

* Dynamics of water in a porous phophate glass, C. M. Brown, Y. Liu, S.-P. Tung, W.-R. Chen, and B.-J. Hwang, Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 45 (2007).

* A quasi-elastic neutron scattering study of the dynamics of alkane and ether molecules tethered to the surface of MCM-41, E. J. Kintzel Jr., K. W. Herwig, M. K. Kidder, P. F. Britt, A. C. Buchanan III, and A. L. Chaffee, Quasi-Elastic Neutron Scattering Conference 2006 (QENS 2006), edited by Paul E. Sokol, H. Kaiser, D.Baxter, R. Pynn, D. Bossev, and M. Leuschner (Mater. Res. Soc., Warrendale, PA, 2007), 31 (2007).

* Dynamics and structure of hydration water on rutile and cassiterite nanopowders studied by quasielastic neutron scattering and molecular dynamics simulations, E. Mamontov, L. Vlcek, D. J. Wesolowski, P. T. Cummings, W. Wang, L. M. Anovitz, J. Rosenqvist, C. M. Brown, and V. García Sakai, J. Phys. Chem. C. 111, 4328 (2007).

* A comparative study of normal and branched alkane monolayer films on a solid surface: II. Dynamics, A.D. Enevoldsen, F.Y. Hansen, A. Diama, H. Taub, R.M. Dimeo, D.A. Neumann, and J.R.D. Copley, J. Chem. Phys. 126, 104704 (2007).

Diffusion of water in the Na_0.3CoO₂·1.4H₂O superconductor, V. García Sakai, E. Mamontov, J. W. Lynn, L. Viciu and R. J. Cava, Phys. Rev. B, 75, 014505 (2007).

* Spin dynamics of Fe₇M (M=Zn, Mn) heterometallic rings probed by neutron spectroscopy, T. Guidi, J.R.D. Copley, Y.Qiu, S. Carretta, P. Santini, G. Amoretti, G. Timco, R.E.P. Winpenny, C.L. Dennis, and R. Caciuffo, Phys. Rev. B. 75, 014408 (2007).

* A molecular view of melting in anhydrous phospholipidic membranes, M. Doxastakis, V. García Sakai, S. Ohtake, J.K. Maranas, and J.J. de Pablo, Biophys. J. 92, 147 (2007).

2006 (23 publications: 15 in text, 8 personal acknowledgments)

* Dynamics of ammonia borane using neutron scattering, C.M. Brown, T.L. Jacques, N.J. Hess, L.L. Daemen, E. Mamontov, J.C. Linehan, A.C. Stowe, and T. Autrey, Physica B 385-386, 266 (2006).

* Local dynamics of syndiotactic poly(methyl methacrylate) using molecular dynamics simulation, C. Chen, J.K. Maranas, and V. García Sakai, Macromolecules 39, 9630 (2006).

* Diffusive hydrogen motion in ZrBe₂H_0.56: A quasielastic neutron scattering study, R.L. Cappelletti, T.J. Udovic, Z. Chowdhuri, B.C. Hauback, A.J. Maeland, R.M. Dimeo, Physica B 385-386, 208 (2006).

* The boson peak in melt-formed and damage-formed glasses: a defect signature?, H. Bhat, I. Peral, J.R.D. Copley, and C.A. Angell, J. Non-Cryst. Solids 352, 4517 (2006).

Neutron scattering from a coordination polymer quantum paramagnet, T. Hong, M. Kenzelmann, M.M. Turnbull, C.P. Landee, B.D. Lewis, K.P. Schmidt, G.S. Uhrig, Y. Qiu, C. Broholm, and D. Reich, Phys. Rev. B 74, 094434 (2006).

Local order and frustration in the geometrically frustrated spinels Cd_1-xZn_xV₂O₄, Z. Zhang, D. Louca, A. Visinoiu, S.-H. Lee, J.D. Thompson, T. Proffen, A. Llobet, Y. Qiu, S. Park, and Y. Ueda, Phys. Rev. B 74, 014108 (2006).

* Isomeric and concentration effects of C₄-cosurfactants on four-component microemulsions investigated by neutron spin-echo and small-angle scattering, E. Zambrano, M. Kotlarchyk, A. Langner and A. Faraone, J. Phys.: Condens. Matter 18, S2451 (2006).

* Vibrational analysis of the inelastic neutron scattering spectra of electron donor-acceptor complexes II. Tetracyanoethylene-perylene by electronic structure calculations, J.A. Ciezak, J.B. Leão, and B.S. Hudson, J. Molec. Struct:THEOCHEM 23, 767 (2006).

* Influence of hydration on the dynamics of lysozyme, J.H. Roh, J.E. Curtis, S. Azzam, V.N. Novikov, I. Peral, Z. Chowdhuri, R.B. Gregory, and A.P. Sokolov, Biophys. J. 91, 2573 (2006).

* Inelastic neutron scattering investigation of hydrating tricalcium and dicalcium silicate mixtures, V.K. Peterson, D.A. Neumann, and R.A. Livingston, J. Mater. Res. 21, 1836 (2006).

* Quasielastic neutron scattering study of diffusive hydrogen motion in ZrBe₂H_0.56, R.L. Cappelletti, Z. Chowdhuri, T.J. Udovic, R.M. Dimeo, B.C. Hauback, and A.J. Maeland, Phys. Rev. B 73, 224109 (2006).

* A comparison of united atom, explicit atom and coarse-grained simulation models for poly(ethylene oxide), C. Chen, P. Depa, V. García Sakai, J.K. Maranas, J.W. Lynn, I. Peral, and J.R.D. Copley, J. Chem. Phys. 124, 234901 (2006).

* The inelastic neutron scattering spectrum of 1,4-Dinitroimidazole and the reproduction of its solid-state features by periodic DFT methods, J.A. Ciezak and S.F. Trevino, Mater. Res. Soc. Symp. Proc. 896-H05-02.1 (2006).

* Inleastic neutron scattering spectrum of cyclotrimethylenetrinitamine: A comparison with solid-state electronic structure calculations, J.A. Ciezak and S.F. Trevino, J. Phys. Chem. A 110, 5149 (2006).

* Structural and vibrational characterization of tetracyanoethylene-hexamethylbenzene as a function of pressure, J.A. Ciezak and J.B. Leão, J. Phys. Chem. A 110, 3759 (2006).

* The composition dependence of segmental dynamics of poly(methyl methacrylate) in miscible blends with poly(ethylene oxide), J. Liu, V. García Sakai, J.K. Maranas and Z. Chowdhuri, Macromolecules 39, 2866 (2006).

* Dynamics of hydrogen in Pr₂Fe₁₇H₄ and Pr₂Fe₁₇H₅, E. Mamontov, T.J. Udovic, J.J. Rush, and O. Isnard, Mater. Res. Soc. Symp. Proc. 885E, 0885-A08-07.1-5 (2006).

Temperature dependent bilayer ferromagnetism in Sr₃Ru₂O₇, M.B. Stone, M.D. Lumsden, R. Jin, B.C. Sales, D. Mandrus, S.E. Nagler, and Y.Qiu, Phys. Rev. B 73, 174426 (2006).

Field-induced order and spin waves in the pyrochlore antiferromagnet, K.C. Rule, J.P.C. Ruff, B.D. Gaulin, S.R. Dunsiger, J.S. Gardner, J.P. Clancy, M.J. Lewis, H.A. Dabkowska, I. Mirebeau, P. Manuel, Y. Qiu, and J.R.D. Copley, Phys. Rev. Lett. 96, 177201 (2006).

Dynamics of composite Haldane spin chains in IPA-CuCl₃, T. Masuda, A. Zheludev, H. Manaka, L.-P. Regnault, J.-H. Chung, and Y. Qiu, Phys. Rev. Lett. 96, 047210 (2006).

Probing spin frustration in high-symmetry magnetic nanomolecules by inelastic neutron scattering, V.O. Garlea, S.E. Nagler, J.L. Zarestky, C. Stassis, D. Vaknin, P. Kögerler, D.F. McMorrow, C. Niedermayer, D.A. Tennant, B. Lake, Y. Qiu, M. Exler, J.Schnack, and M. Luban, Phys. Rev. B 73, 024414 (2006).

Nanomagnetic droplets and implications to orbital ordering in La_1-xSr_xCoO₃, D. Phelan, D. Louca, S. Rosenkranz, S.-H. Lee, Y. Qiu, P.J. Chupas, R. Osborn, H. Zheng, J.F. Mitchell, J.R.D. Copley, J.L. Sarrao and Y. Moritomo, Phys. Rev. Lett. 96, 027201 (2006).

Dynamic transition in tRNA is solvent induced, G. Caliskan, R. M. Briber, D. Thirumalai, V. García Sakai, S. A. Woodson, and A. P. Sokolov, J. Am. Chem. Soc.128, 32-33 (2006).

2005 (18 publications: 18 in text, 0 personal acknowledgments)

* Data reduction on time-of-flight instruments, P.L.W. Tregenna-Piggott, Swiss Neutron News 28, 4 (2005).

* Diffusion of benzene confined in the oriented nanochannels of chrysotile asbestos fibers, E. Mamontov, Yu A. Kumzerov, and S.B. Vakhrushev, Phys. Rev. E 72, 051502 (2005).

* Observation of fragile-to-strong liquid transition in surface water in CeO₂, E. Mamontov, J. Chem. Phys. 123, 171101 (2005).

* Theoretical and experimental study of the inelastic neutron scattering spectra of B-5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one, J.A. Ciezak and S.F. Trevino, J. Molec. Struct.:THEOCHEM 732, 211 (2005).

* Miscible blend dynamics and the length scale of local Compositions, V. García Sakai, J.K. Maranas, Z. Chowdhuri, I. Peral, and J.R.D. Copley, J. Polym. Sci. Part B: Polym. Phys. 43,2914 (2005).

* High-resolution neutron scattering study of slow dynamics of surface water molecules in zirconium oxide, E.Mamontov, J. Chem.Phys., 123, 024706 (2005).

* Onset of anharmonicity in protein dynamics, J.H. Roh, V.N. Novikov, R.B. Gregory, J.E. Curtis, Z. Chowdhuri, and A.P. Sokolov, Phys. Rev. Lett. 95, 038101 (2005).

* Hydration of tricalcium and dicalcium silicate mixtures studied using quasielastic neutron scattering, V.K. Peterson, D.A. Neumann, and R.A. Livingston, J. Phys. Chem. B 109, 14449 (2005).

* Molecular view of water dynamics near model peptides, D. Russo, R.K. Murarka, J.R.D. Copley, and T. Head-Gordon, J. Phys. Chem. B 109, 12966 (2005).

* Translational dynamics of water in the nanochannels of oriented chrysotile asbestos fibers, E.Mamontov, Yu A. Kumzerov, and S.B. Vakhrushev, Phys. Rev. E 71, 061502 (2005).

* Structure and dynamics of propylene oxide and trimethylene oxide clathrate hydrates, I. Peral, J.E. Curtis,B.C. Chakoumakos and C.Y. Jones, Proceedings of the Materials Research Society 2004 Fall Meeting: Neutron and X-Ray Scattering as Probes of Multiscale Phenomena. Volume 840, (Warrendale, PA, 2005), paper Q2.1, Editors: S.R.Bhatia, P.G.Khalifah,D.Pochan, P.Radaelli. ISBN: 1-55899-788-1. (2005).

* Molecular dynamics of confined glucose solutions, G. Lelong, D.L. Price, A. Douy, S. Kline, J.W. Brady, and M.-L. Saboungi, J. Chem. Phys. 122, 164504 (2005).

* Spin dynamics and tunneling of the Neel vector in the Fe10 magnetic wheel, P. Santini, S. Carretta, G. Amoretti, T. Guidi, R.Caciuffo, A. Caneschi, D. Rovai, Y. Qiu, and J.R.D. Copley, Phys. Rev. B 71, 184405 (2005).

* The molecular structure and inelastic neutron scattering spectra of 2,6-diamino-3,5-dinitropyrazine, J.A. Ciezak and S.F. Trevino, J. Molec. Struct.:THEOCHEM 723, 241 (2005).

* Translational dynamics of water in nanoporous layered silicate, S. Nair, Z. Chowdhuri, I. Peral, D.A. Neumann, L.Charles Dickinson, H.-K. Jeong, and M. Tsapatsis, Phys. Rev. B 71, 104301 (2005).

* The inelastic neutron scattering spectra of a-2-amino-5-nitro-1,2,4-2H-triazole: Experiment and DFT calculations, J.A. Ciezak and S.F. Trevino, Chem. Phys. Lett. 403, 329 (2005).

* Magnetic order and spin dynamics in ferroelectric HoMnO₃, O.P. Vajk, M. Kenzelmann, J.W. Lynn, S.B. Kim, and S.-W. Cheong, Phys. Rev. Lett. 94, 087601 (2005).

* Rotational dynamics of methyl groups in m-xylene, O. Kirstein, M. Prager, R.M. Dimeo, and A. Desmedt, J. Chem. Phys. 122, 014502 (2005).

2004 (9 publications: 9 in text, 0 personal acknowledgments)

* Vibrations of micro-eV energies in nanocrystallilne microstructures, A.F. Yue, A.B. Papandrew, O. Delaire, B. Fultz, Z. Chowdhuri, R.M. Dimeo and D.A. Neumann, Phys. Rev. Lett. 93, 205501 (2004).

* Methyl rotational tunneling dynamics of p-xylene confined in a crystalline zeolite host, S. Nair, R.M. Dimeo, D.A. Neumann, A.J. Horsewill, and M. Tsapatsis, J. Chem. Phys. 121, 4810 (2004).

* Molecular dynamics of glucose in solution: a quasielastic neutron scattering study, L.J. Smith, D.L. Price, Z. Chowdhuri, J.W. Brady, and M.-L. Saboungi, J. Chem. Phys. 120, 3527 (2004).

* Dynamics of surface water in ZrO₂ studied by quasielastic neutron scattering, E. Mamontov, J. Chem. Phys. 121, 9087 (2004).

* Evidence for anomalous hydration dynamics near a model hydrophobic peptide, D. Russo, R.K. Murarka, G. Hura, E. Verschell, J.R.D. Copley and T. Head-Gordon, J. Phys. Chem. B 108, 19885 (2004).

* Dynamics of water molecules in glucose solutions, C. Talon, L.J. Smith, J.W. Brady, B.A. Lewis, J.R.D. Copley, D.L. Price, and M.-L. Saboungi, J. Phys. Chem. B 108, 5120 (2004).

* Effect of blending with poly(ethylene oxide) on the dynamics of poly(methyl methacrylate): a quasielastic neutron scattering approach, V. García-Sakai, C. Chen, J.K. Maranas, and Z. Chowdhuri, Macromolecules 37, 9975 (2004).

* Dynamics of trimethylene oxide in a structure II clathrate hydrate, C.Y. Jones and I. Peral, American Mineralogist 89, 1176 (2004).

* Hydration dynamics near a model protein surface, D. Russo, G. Hura and T. Head-Gordon, Biophys. J. 86, 1852 (2004).

2003 (1 publications: 1 in text, 0 personal acknowledgments)

* Diffusion of H₂ adsorbed on single walled carbon nanotubes, D.G. Narehood, J.V. Pearce, P.C. Eklund, P.E. Sokol, R.E. Lechner, J. Pieper, J.R.D. Copley and J.C. Cook, Phys. Rev. B 67, 205409 (2003).

If you reduced, analyzed or visualized your data using DAVE, please acknowledge its use by including the following reference:

[1] DAVE: A comprehensive software suite for the reduction, visualization, and analysis of low energy neutron spectroscopic data, R.T. Azuah, L.R. Kneller, Y. Qiu, P.L.W. Tregenna-Piggott, C.M. Brown, J.R.D. Copley, and R.M. Dimeo, J. Res. Natl. Inst. Stan. Technol. 114, 341 (2009).
Disclaimer

This software was developed at the National Institute of Standards and Technology at the NIST Center for Neutron Research by employees of the Federal Government in the course of their official duties. Pursuant to title 17 section 105* of the United States Code this software is not subject to copyright protection and is in the public domain. The DAVE software package is an experimental neutron scattering data reduction, visualization, and analysis system. NIST assumes no responsibility whatsoever for its use, and makes no guarantees, expressed or implied, about its quality, reliability, or any other characteristic. The use of certain trade names or commercial products does not imply any endorsement of a particular product, nor does it imply that the named product is necessarily the best product for the stated purpose. We would appreciate acknowledgment if the software is used.
*Subject matter of copyright: United States Government works
Copyright protection under this title is not available for any work of the United States Government, but the United States Government is not precluded from receiving and holding copyrights transferred to it by assignment, bequest, or otherwise.
Acknowledgments

The DAVE development team consists of Richard Azuah, John Copley, Rob Dimeo, Sungil Park, Seung-Hun Lee, Alan Munter, Larry Kneller, Yiming Qiu, Inma Peral, Craig Brown, Paul Kienzle and Philip Tregenna. Additional open source utilities written by David Fanning, Ronn Kling, Mark Piper, Michael D. Galloy, and Craig Markwardt have been incorporated into some of the DAVE programs as well. This work is based upon activities supported by the National Science Foundation under Agreement No. DMR-0454672.

Last modified 19-November-2009