Publications with DAVE citations
Publications in which
DAVE
software is cited
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).
Submitted
In press
Double Focusing Thermal Triple Axis Spectrometer at the NCNR,
J. W. Lynn, Y. Chen, S. Chang, Y. Zhao, S. Chi, W. Ratcliff, B. G. Ueland, and R. W. Erwin,
J. Research NIST 117, No. 1 (IN PRESS).
Neutron Diffraction Investigations of Magnetism in BiFeO3 Epitaxial Films,
W. Ratcliff II, D. Kan, W. Chen, S. Watson, S. Chi, R. Erwin, G. J. McIntyre, S. C. Capelli, I. Takeuchi,
Advanced Functional Materials (IN PRESS).
The dynamics of 1,3 diphenylpropane tethered to the interior pore surfaces of MCM-41,
E.J. Kintzel, M.K. Kidder, A.C. Buchanan, P.F. Britt, E. Mamontov, M. Zamponi, and K.W. Herwig,
J. Phys. Chem. C (IN PRESS).
2012
(3 publications)
Coherent Dynamics of meta-Toluidine Investigated by QuasiElastic Neutron Scattering,
Antonio Faraone, Kunlun Hong, Larry R. Kneller, Michael Ohl, and John Copley,
J. Chem. Phys. 136, 104502 (2012).
Effect of charged lidocaine on static and dynamic properties of model bio-membranes,
Z. Yi, M. Nagao, D.P. Bossev,
Biophys. Chem. 160, 20 (2012).
Restricted dynamics of molecular hydrogen confined in activated carbon nanopores,
C.I. Contescu, D. Saha, N.C. Gallego, E. Mamontov, A.I. Koleshnikov, and V.V. Bhat,
Carbon 50, 1071 (2012).
2011
(35 publications)
Molecular mobility in solid sodium dodecyl sulfate,
S. Mitra, V.K. Sharma, V. García Sakai, J.P. Embs, and R. Mukhopadhyay,
J. Phys. Chem. B 115, 9732 (2011).
Lattice dynamics and anomolous softening in the YbFe4Sb12 skutterudite,
A. Möchel, I. Sergueev, H.-C. Wille, J. Voigt, M. Prager, M.B. Stone, B.C. Sales, Z. Guguchia, A. Shengelaya, V. Keppens, and R.P. Hermann,
Phys. Rev. B 84, 184306 (2011).
Lattice dynamics in the thermoelectric Zintl compound Yb14MnSb11,
A. Möchel, I. Sergueev, H.-C. Wille, F. Juranyi, H. Schober, W. Schweika, S.R. Brown, S.M. Kauzlarich, and R.P. Hermann,
Phys. Rev. B 84, 184303 (2011).
Diffusion of water in molecular magnet Cu0.75Mn0.75[Fe(CN)6].7H2O,
V.K. Sharma, S. Mitra, A. Kumar, S.M. Yusuf, F. Juranyi, and R. Mukhopadhyay,
J. Phys.: Condens. Matter 23, 446002 (2011).
Thermal motion in the multi-subunit protein, apoferritin, as probed by high energy resolution neutron spectroscopy,
M.T.F. Telling, C. Neylon, L. Clifton, S. Howells, L. van Eijck, anc V. García Sakai,
Soft Matter 7, 6934 (2011).
Direct observation of local Mn-Mn distances in the paramagnetic compound CsMnxMg1-xBr3,
A. Furrer, Th. Strässle, J.P. Embs, F. Juranyi, V. Pomjakushin, M. Schneiderr, and K.W. Krä,
Phys. Rev. Lett. 107, 115502 (2011).
Water and polymer chains dynamics in chitosan hydrogels by quasielastic neutrons scattering,
V. Tripadus, V. Garcia Zacai, M. Statescu, F. Mihai, L. Cracium, L. Tcacenco, V. Almasan,
Rom. Rep. Phys. 63, 437 (2011).
Hindered rotational energy barriers of BH4- tetrahedra in β-Mg(BH4)2 from quasielastic neutron scattering and DFT calculations,
D. Blanchard, J.B. Marosson, M.D. Riktor, J. Kheres, D. Sveinbjörnsson, E.G. Bardaji, A.N. Leon, F. Juranyi, J. Wuttke, K. Lefman, B.C. Hauback, M. Fichtner, and T. Vegge,
J. Phys. Chem. C. DOI: 10.1021/jp208670v (2011).
Differences in Fe-redox for asbestiform and nonasbestiform amphiboles from the former vermiculite mine, near Libby, Montana, U.S.A.,
M.E. Gunter, M.D. Dyer, A. Lanzirotti, J.M. Tucker, and E.A. Speicher,
American Mineralogist 96, 1414 (2011).
Magnetic excitations in the geometric frustrated multiferroic CuCrO2,
M. Frontzek, J.T. Haraldsen, A. Podlesnyak, M. Matsuda, A.D. Christianson, R.S. Fishman, A.S. Sefat, Y. Qiu, J.R.D. Copley, S. Barilo, S.V. Shiryaev, and G. Ehlers,
Phys. Rev. B 84, 094448 (2011).
Dynamics of thermodynamically stable, kinetically trapped, and inhibitor-bound states of pepsin,
D.R. Dee, B. Myers, and R.Y. Yada,
Biophys. J. 101, 1699 (2011).
The dynamics of unfolded versus folded tRNA: the role of electrostatic interactions,
J.H. Roh, M. Tyagi, R.M. Briber, S.A. Woodson, and A.P. Sokolov,
J. Am. Chem. Soc. 133, 16406 (2011).
Segmental dynamics and ion association in PEO-based single ion conductors,
K. Sinha and J.K. Maranas,
Macromolecules 44, 5381 (2011).
Interlayer distance dependence of thickness fluctuations in a swollen lamellar phase,
M. Nagao, S. Chawang, and T. Hawa,
Soft Matter 7, 6598 (2011).
Hierarchical structure and dynamics of an ionic liquid 1-octyl-3-methylimidazolium chloride,
O. Yamamuro, T. Yamada, M. Kofu, M. Nakakoshi, and M. Nagao,
J. Chem. Phys. 135, 054508 (2011).
Temperature and scattering contrast dependencies of thickness fluctuations in surfactant membranes,
M. Nagao,
J. Chem. Phys. 135, 074704 (2011).
Light-controlled protein dynamics observed with neutron spin echo measurements,
S.-C. Wang, P. Mirarefi, A. Faraone, C.T. Lee, Jr.,
Biochemistry 50, 8150 (2011).
Quasi-elastic neutron scattering studies on dynamics of water confined in nanoporous copper rubeanate hydrates,
Ta. Yamada, R. Yonamine, Te. Yamada, H. Kitagawa, M. Tyagi, M. Nagao, and O. Yamamuro,
J. Phys. Chem. B 115, 13563 (2011).
Low-temperature tunneling and rotational dynamics of the ammonium cations in (NH4)2B12H12,
N. Verdal, T.J. Udovic, J.J. Rush, V. Stavila, H. Wu, W. Zhou, and T. Jenkins,
J. Chem. Phys. 135, 094501 (2011).
Phloroglucinol-bridged trinuclear complexes with three paramagnetic octahedral nickel(II) ions: Syntheses, crystal structures, and magnetic properties,
D. Plaul and W. Plass,
Inorg. Chim. Acta 374, 341 (2011).
Iron(III)-pivalate-based complexes with tetranuclear {Fe4(μ3-O)2}8+ cores and n-donor ligands: Formation of cluster and polymeric architectures,
S.G. Baca, I.G. Filippova, T.D. Keene, O. Botezat, I.L. Malaestean, H. Stoeckli-Evans, V.C. Kravtsov, I. Chumacov, S.-X. Liu, and S. Decurtins,
Eur. J. Inorg. Chem. 2011, 356 (2011).
Re-examining high abundance SDSS mass-metalliciry outliers: High N/O evolved Wolf-Rayet galaxies?,
D.A. Berg, E.D. Skillman, A.R. Marble,
Astrophys. J. 738,2 (2011).
A study of out-of-plane cation dynamics in a bis-thiourea pyridinium chloride inclusion compound,
A. Pajzderska, P. Czarnecki, J.P. Embs, M.A. Gonzalez, F. Juranyi, J. Krawczyk, B. Peplińska, and. J. Wąsicki,
Phys. Chem. Chem. Phys. 13, 8908 (2011).
Pore with gate: modulating hydrogen storage in metal-oganic framework materials via cation exchange,
S. Yang, S.K. Callear, A.J. Ramirez-Cuestra, W.I.F. David, J. Sun, A.J. Blake, N.R. Champness, and M. Schröder,
Faraday Discussions, DOI: 10.1039/c1fd00006c (2011).
Effects of carrier doping on the formation and collapse of magnetic polarons in ligtly hole-doped La1-xSrxCoO3,
A. Podlesnyak, G. Ehlers, M. Frontzek, A.S. Sefat, A. Furrer, T. Strässle, E. Pomjakushina, K. Conder, F. Demmel, and D.I. Khomskii,
Phys. Rev. B 83, 134430 (2011).
Redox-promoting protein motors in rubredoxin,
J.M. Borreguero, J. He, F. Meilleur, K.L. Weiss, C.M. Brown, D.A. Myles, K.W. Herwig, and P.K. Agarwal,
J. Phys. Chem. B 115, 8925 (2011).
Low-energy magnetic excitations in Co/CoO core/chell nanoparticles,
M. Feygenson, X. Teng, S.E. Inderhees, Y. Yiu, W. Du, W. Han, J. Wen, Z. Xu, A.A. Podlesnyak, J.L. Niedziela, M. Hagen, Y. Qiu, C.M. Brown, L. Zhang, and M.C. Aronson,
Phys. Rev. B 83, 174414 (2011).
Dynamics of small-molecule glass formers confined in nanopores,
T.R. Prisk, M. Tyagi, and P.E. Sokol,
J. Chem. Phys. 134, 114506 (2011).
Hydrogen storage properties and neutron scattering studies of Mg2(dobcd)-a metal-organic framework with open Mg2+ adsorption sites,
K. Sumida, C.M. Brown, Z.R. Herm, S. Chavan, S. Bordiga, and J.R. Long,
Chem. Commun. 47, 1157 (2011).
Reorientational dynamics of Dodecahydro-closo-dodecaborate anion in Cs2B12H12,
N. Verdal, T.J. Udovic, J.J. Rush, R.L. Cappelletti, and W. Zhou,
J. Phys. Chem. A 115, 2933 (2011).
Neutron scattering and spectroscopic studies of hydrogen adsorbtion in Cr3(BTC)2-A metal-organic framework with exposed Cr2+ sites,
K. Sumida, J.-H. Her, M. Dincă, L.J. Murray, J.M. Schloss, C.J. Pierce, B.A. Thompson, S.A. Fitzgerald, C.M. Brown, and J.R. Long,
J. Phys. Chem. C 115, 8414 (2011).
Vibrational density of states of hydration water at biomolecular sites: Hydrophobicity promotes low density amorphous ice behavior,
D. Russo, J. Teixeira, L. Kneller, J.R.D. Copley, J. Ollivier, S. Perticaroli, E. Pellegrini, and M.A. Gonzalez,
J. Am. Chem. Soc. 133, 4882 (2011).
Micro-channel development and hydrogen absorption properties in templated microporous carbons containing platinum nanoparticles,
Y. Yang, C.M. Brown, C. Zhao, A.L. Chaffee, B. Nick, D. Zhao, P.A. Webley, J. Schalch, J.M. Simmons, Y. Liu, J.-H. Her, C.E. Buckley, and D.A. Sheppard,
Carbon 49, 1305 (2011).
Interrelationship between Li+ diffusion, charge, and magnetism in 7LiMn2O4 and 7Li1.1Mn1.9O4 spinels: Elastic, inelastic, and quasielastic neutron scattering,
K. Kamazawa, H. Nozaki, M. Harada, K. Kazuhiko, Y. Ikedo, K. Iida, T.J. Sato, Y. Qiu, M. Tyagi, and J. Sugiyama,
Phys. Rev. B 83, 094401 (2011).
Molecular dynamics and neutron scattering study of glucose solutions confined in MCM-41,
A. Lerbret, G. Lelong, P.E. Mason, M.-L. Saboungi, and J.W. Brady,
J. Phys. Chem. B 115, 910 (2011).
2010
(22 publications)
Neutron scattering study of a quasi-two-dimansional spin-1/2 dimer system: Piperazinium hexachlorodicuprate under hydrostatic pressure,
T. Hong, C. Stock, I. Cabrera, C. Broholm, Y. Qiu, J.B. Leão, S.J. Poulton, and J.R.D. Copley,
Phys. Rev. B. 82, 184424 (2010).
Localized diffusive motion on two different time scales in solid alkane nanoparticles,
S.-K. Wang, E. Mamontov, M. Bai, F.Y. Hansen, H. Taub, J.R.D. Copley, V. García Sakai, G. Gasparovic, T. Jenkins, M. Tyagi, K.W. Herwig, D.A. Neumann, W. Montfrooij, and U.G. Volkmann,
Europhys. Lett. 91, 66007 (2010).
VLT/FLAMES-ARGUS observations of stellar wind-ISM cloud interactions in NGC 6357,
M.S. Westmoquette, J.D. Slavin, L.J. Smith, and J.S. Gallagher III,
Mon. Not. R. Astron. Soc. 402, 152-160 (2010).
Low-temperature spin dynamics in the kagome system Pr3Ga5SiO14,
L.L. Lumata, T. Besara, P.L. Kuhns, A.P. Reyes, H.D. Zhou, C.R. Wiebe, L. Balicas, Y.J. Jo, J.S. Brooks, Y. Takano, M.J. Case, Y. Qiu, J.R.D. Copley, J.S. Gardner, K.Y. Choi, N.S. Dalal, and M.J.R. Hoch,
Phys. Rev. B 81, 224416 (2010).
A low-temperature crossover in water dynamics in an aqueous LiCl solution: Diffusion probed by Neutron Spin-Echo and NMR,
E. Mamontov, A. Faraone, E.W. Hagaman, K.S. Han, and E. Fratini,
J. Phys. Chem. B 114, 16737 (2010).
Hydrated {Mo72Fe30} clusters: Low-frequency hydrogen modes and self-aggregation,
E. Fratini, A. Faraone, A.M. Todea, and P. Baglioni,
Inorganica Chimica Acta 363, 4234 (2010).
Phase separation and suppression of the structural and and magnetic transitions in superconducting doped iron tellurides: Fe1+xTe1-ySy,
P. Zajdel, P.-Y. Hsieh, E.E. Rodriguez, N.P. Butch, J.D. Magill, J. Paglione, P. Zavalij, M.R. Suchomel, and M.A. Green,
J. Am. Chem. Soc. 132, 13000 (2010).
A VLT VIMOS integral-field spectroscopic study of perturbed bluecompact galaxies: UM 420 and UM462,
B.L. James, Y.G. Tsamis, and M.J. Barlow,
Mon. Not. R. Astron. Soc. 401, 759 (2010).
Identifying the Specific Nanostructures Responsible for the High Thermoelectric Performance of (Bi,Sb)2Te3 Nanocomposites,
W. Xie, J. He, H.J. Kang, X. Tang, S. Zhu, M. Laver, S. Wang, J.R.D. Copley, C.M. Brown, Q. Zhang, and T.M. Tritt,
Nano Lett. 10, 3283 (2010).
Experimental evidence of logarithmic relaxation in single-particle dynamics of hydrated protein molecules,
X.-q. Chu, M. Lagi, E. Mamontov, E. Fratini, P. Baglioni, and S.-H. Chen,
Soft Matter, 6, 2623 (2010).
Effect of pH and Ibuprofen on the phospholipid bilayer bending modulus,
M.B. Boggara, A. Faraone, and R. Krishnamoorti,
J. Phys. Chem. B 114, 8061 (2010).
Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal-organic framework (Fe-BTT) discovered via high-throughput methods,
K. Sumida, S. Hiroke, S.S. Kaye, Z.R. Herm, W.L. Queen, C.M. Brown, F. Grandjean, G.J. Long, A. Dailly, and J.R. Long,
Chem. Sci. 1, 184 (2010).
Analysis of the vibrational spectrum of dihydrazinium 5,5'-azotetrazolate dihydrate by electronic structure calculations,
J.A. Ciezak and S.F. Trevino,
J. Mol. Struct. 975, 23 (2010).
Ionized gas in the starburst core and halo of NGC 1140,
M.S. Westmoquette, J.S. Gallagher III, and L. De Poitiers,
Mon. Not. R. Astron. Soc. 403, 1719 (2010).
A molecular picture of motion in polyolefins,
E.K. Boland, J. Liu, and J.K. Maranas,
J. Chem. Phys. 132, 144901 (2010).
Investigation of the behavior of ehtylene molecular films using high resolution adsorption isotherms and neutron scattering,
A.M. Barbour, M.T.F. Telling, and J.Z. Larese,
Langmuir 26, 8113 (2010).
Reorientational dynamics of NaBH4 and KBH4,
N. Verdal, M.R. Hartman, T. Jenkins, D.J. DeVries, J.J. Rush, and T.J. Udovic,
J. Phys. Chem. C 114, 10027 (2010).
Structure and mobility of PEO/LiClO4 solid polymer electrolytes filled with Al2O3 nanoparticles,
S.K. Fullerton-Shirey, and J.K. Maranas,
J. Phys. Chem. C 114, 9196 (2010).
Introduction to Quasielastic Neutron Scattering,
J.P. Embs, F. Juranyi, and R. Hempelmann,
Z. Phys. Chem. 224, 5 (2010).
Electronic structure and photophysics of pseudo-octahedral vanadium(III) oxo complexes,
K.R. Kittilstved and A. Hauser,
Coordination Chemistry Reviews 254, 2663 (2010).
On the behaviour of water hydrogen bonds at biomolecular sites: Dependences on temperature and on network dimensionality,
D. Russo, J.R.D. Copley, J. Ollivier, and J. Teixeira,
J. Mol. Struct. 972, 81 (2010).
Structure and water dynamics of aqueous peptide solutions in the presence of co-solvents,
C. Malardier-Jugroot, D.T. Bowron, A.K. Soper, M.E. Johnson, and T. Head-Gordon,
Phys. Chem. Chem. Phys. 12, 382 (2010).
2009
(26 publications)
The optical structure of the starburst galaxy M82. I. Dynamics of the disk and inner-wind,
M.S. Westmoquette, L.J. Smith, J.S. Gallagher III, G. Trancho, N. Bastian, and I.S. Konstantopoulos,
Astrophys. J. 696, 92 (2009).
The internal kinematics of the HII galaxy II Zw 40,
V. Bordalo, H. Plana, and E. Telles,
Astrophys. J. 696, 1668 (2009).
Two-dimensional Kagome correlations and field induced order in the ferromagnetic XY pyrochlore Yb2Ti2O7,
K.A. Ross, J.P.C. Ruff, C.P. Adams, J.S. Gardner, H.A. Dabkowska, Y. Qiu, J.R.D. Copley, and B.D. Gaulin,
Phys. Rev. Lett. 103, 227202 (2009).
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).
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. 398, 2 (2009).
Neutron scattering measurements of the phonon density of states of FeSe1-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).
The optical structure of the starburst galaxy M82. II. Nebular properties of the disk and inner wind,
M.S. Westmoquette, J.S. Gallagher, L.J. Smith, G. Trancho, N. Bastian, and I.S. Konstantopoulos,
Astrophys. J. 706, 1571 (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
(20 publications)
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).
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 12th 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
(24 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).
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).
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 Ho2.3Ti1.7O7−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 ZrBe2H0.56: 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 ZrBe2H0.56,
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).
