Publications in which DAVE software is cited

Acknowledging use of DAVE in publications may be done by making a reference to the DAVE web site. For example:

"The DAVE software package was used for elements of the data reduction and analysis. [1]"
[1] http://www.ncnr.nist.gov/dave

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

Submitted

In press

The nature of deuterium rearrangements in YD₃ and other rare-earth trideuterides, T. J. Udovic, Q. Huang, A. Santoro, and J. J. Rush, Z. Kristallogr. (IN PRESS).

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 (IN PRESS).

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. (IN PRESS).

2009 (3 publications)

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, 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).

2008 (18 publications)

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).

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).

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).

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 (23 publications)

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).

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).

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).

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 (15 publications)

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).

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).

2005 (18 publications)

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)

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)

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).