scholarly journals Solution structure of macromolecules using small angle neutron scattering and molecular simulations

2020 ◽  
Vol 236 ◽  
pp. 03003
Author(s):  
Jayesh S. Bhatt
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Neutron Scattering ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Solution Structure ◽  
Molecular Simulations ◽  
Liquid Solution ◽  
Scattering Data ◽  
Monte Carlo Techniques

An introductory account of using molecular simulations to deduce solution structure of macromolecules using small angle neutron scattering data is presented for biologists. The presence of a liquid solution provides mobility to the molecules, making it difficult to pin down their structure. Here a simple introduction to molecular dynamics and Monte Carlo techniques is followed by a recipe to use the output of the simulations along with the scattering data in order to infer the structure of macromolecules when they are placed in a liquid solution. Some practical issues to be watched for are also highlighted.

Autocorrelation function of the spin misalignment in magnetic small-angle neutron scattering: application to nanocrystalline metals

2013 ◽  
Vol 46 (3) ◽  
pp. 788-790 ◽  
Author(s):  
Andreas Michels ◽  
Jens-Peter Bick
Keyword(s):  
Neutron Scattering ◽  
Autocorrelation Function ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Anisotropy Field ◽  
Real Space ◽  
Scattering Data ◽  
Stiffness Constant ◽  
The Mean ◽  
Cobalt And Nickel

Real-space magnetic small-angle neutron scattering data from nanocrystalline cobalt and nickel have been analysed in terms of a recently developed micromagnetic theory for the autocorrelation function of the spin misalignment [Michels (2010).Phys. Rev. B,82, 024433]. The approach provides information on the exchange-stiffness constant and on the mean magnetic `anisotropy-field' radius.

Characterization of alumina powder using multiple small-angle neutron scattering. I. Theory

1985 ◽  
Vol 18 (6) ◽  
pp. 467-472 ◽  
Author(s):  
N. F. Berk ◽  
K. A. Hardman-Rhyne
Keyword(s):  
Particle Size ◽  
Phase Shift ◽  
Neutron Scattering ◽  
Multiple Scattering ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Volume Fraction ◽  
Scattering Data ◽  
Alumina Powder ◽  
Beam Broadening

Microstructural parameters of high-purity alumina powder are determined quantitatively throughout the bulk of the material using small-angle neutron scattering techniques. A unified theoretical and experimental approach for analyzing multiple scattering data is developed to obtain values for particle size, volume fraction and surface area. It is shown how particle size and volume fraction can be measured in a practical way from SANS data totally dominated by incoherent multiple scattering (`beam broadening'). The general phase-shift dependence of single-particle scattering is incorporated into the multiple scattering formalism, and it is also shown that the diffractive limit (small phase shift) applies even for phase shifts as large as unity (particle radii of order 1 μm). The stability of the Porod law against multiple scattering and the phase-shift scale are described, a useful empirical formula for analysis of beam broadening data is exhibited, and the applicability of the formulations to polydispersed systems is discussed.

Structure of Silicon-Substituted Polytricyclononene Films: Small-Angle Neutron Scattering Data

2018 ◽  
Vol 60 (10) ◽  
pp. 2097-2102
Author(s):  
V. T. Lebedev ◽  
N. P. Yevlampieva ◽  
M. V. Bermeshev ◽  
A. A. Szhogina
Keyword(s):  
Neutron Scattering ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Scattering Data

scholarly journals Determination of Internal Density Profiles of Smart Acrylamide-Based Microgels by Small-Angle Neutron Scattering: A Multishell Reverse Monte Carlo Approach

Langmuir ◽  
2018 ◽  
Vol 34 (50) ◽  
pp. 15403-15415 ◽  
Author(s):  
Marian Cors ◽  
Lars Wiehemeier ◽  
Yvonne Hertle ◽  
Artem Feoktystov ◽  
Fabrice Cousin ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Neutron Scattering ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Reverse Monte Carlo ◽  
Density Profiles ◽  
Monte Carlo Approach

Small Angle Neutron Scatitering Study of Sol-Gel Glasses

1989 ◽  
Vol 166 ◽  
Author(s):  
P. Wiltzius ◽  
S. B. Dierker
Keyword(s):  
Neutron Scattering ◽  
Small Angle ◽  
Structure Factor ◽  
Small Angle Neutron Scattering ◽  
Sol Gel ◽  
Scattering Data ◽  
Length Scales ◽  
Internal Interface ◽  
Porous Glasses ◽  
Gel Glasses

ABSTRACTWe present small angle neutron scattering data of porous glasses. Analysis of the structure factor shows that the morphology on length scales between 30 A and 800 A depends on fabrication procedures. Fast gelation leads to a clumpy glass, whereas slow gelation produces a random smooth internal interface.

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