scholarly journals 1P080 Molecular simulation study to examine the possibility of detecting protein dynamic structure by inelastic neutron scattering

2004 ◽  
Vol 44 (supplement) ◽  
pp. S49
Author(s):  
Y. Joti ◽  
A. Kitao ◽  
N. Go
Keyword(s):  
Neutron Scattering ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Inelastic Neutron Scattering ◽  
Dynamic Structure ◽  
Inelastic Neutron ◽  
Protein Dynamic

MAGNETIC EXCITATION OF ORTHOGONAL DIMER HEISENBERG SPIN SYSTEM FOR SrCu2(BO3)2

2003 ◽  
Vol 17 (28) ◽  
pp. 5047-5051
Author(s):  
S. MIYAHARA ◽  
K. TOTSUKA ◽  
K. UEDA
Keyword(s):  
Neutron Scattering ◽  
Bound States ◽  
Inelastic Neutron Scattering ◽  
Perturbation Technique ◽  
Dynamic Structure ◽  
Inelastic Neutron ◽  
Magnetic Behaviour ◽  
Lanczos Method ◽  
Flat Band ◽  
Two Dimensional

SrCu 2( BO 3)2 is a new two-dimensional spin gap system and the magnetic behaviour of this compound is explained well by the two-dimensional orthogonal dimer Heisenberg model. Recently several excitations have been observed by inelastic neutron scattering and other experiments. We study features of these excitations by Lanczos method and perturbation technique. A triplet excitation has an almost localised nature. This localised character is observed as an almost flat band in neutron scattering. On the other hand, bound states of two triplet excitations, which have dispersive character, are stable in contrast to ordinary magnetic systems. We calculate the dynamic structure factor by a Lanczos method in finite systems and compare our results with experiments.

Investigating H2Sorption in a Fluorinated Metal–Organic Framework with Small Pores Through Molecular Simulation and Inelastic Neutron Scattering

Langmuir ◽  
2015 ◽  
Vol 31 (26) ◽  
pp. 7328-7336 ◽  
Author(s):  
Katherine A. Forrest ◽  
Tony Pham ◽  
Peter A. Georgiev ◽  
Florian Pinzan ◽  
Christian R. Cioce ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Molecular Simulation ◽  
Inelastic Neutron Scattering ◽  
Metal Organic Framework ◽  
Inelastic Neutron ◽  
Metal Organic ◽  
Organic Framework

Single-particle dynamics of the solid heliums from deep inelastic neutron scattering

1987 ◽  
Vol 65 (11) ◽  
pp. 1401-1408 ◽  
Author(s):  
R. O. Simmons
Keyword(s):  
Neutron Scattering ◽  
Single Particle ◽  
Inelastic Neutron Scattering ◽  
Solid Helium ◽  
Dynamic Structure ◽  
Inelastic Neutron ◽  
Hexagonal Close Packed ◽  
Theoretical Predictions ◽  
Atomic Momentum ◽  
Particle Property

Previous neutron-scattering research on solid heliums has been restricted to small momentum transfers, Q, both by large Debye–Waller factors and by scientific interest being restricted to collective modes and their interactions. It has also been limited by insufficient sources of neutron beams of about an electronvolt in energy, which are required to apply the method of deep inelastic scattering to solids. Making use of a spallation neutron source and a suitable chopper spectrometer, one can now collect data in which the dynamic structure factor S(Q,E) directly reflects the atomic-momentum distribution n(p). For 4He, the major determining factor on this single-particle property is the density of the sample, not its microscopic structure. At a strictly constant number density, samples of hexagonal close-packed (hcp), body-centered cubic (bcc), and normal liquid show identical S(Q,E)'s for Q's near 200 nm−1, at current levels of precision. The case of bcc 4He is used to illustrate the method, and the derived kinetic energy is compared with theoretical predictions. The applicability of these results in other areas of solid-helium physics is indicated.

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