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The structures composed of individual polymer nanoparticles are simulated using a molecular dynamics technique.
These results are compared to published numerical data obtained using discrete molecular dynamics technique.
Molecular dynamics technique is inserted in BETACOOL program (Proceedings of Beam Cooling and Related Topics, Bad Honnef, Germany, 2001) and used for numerical simulation of crystalline beams.
A molecular dynamics technique with a multi-atom potential was used to simulate the behavior of Y-doping in Σ37 grain boundary (GB) in α-Al2O3.
Efficient configurational sampling of the EK peptide over a wide temperature range enabled by the replica exchange molecular dynamics technique allows characterization of the stability of α-helix with respect to heat-induced unfolding.
The objectives of this study were to develop a computational model based on molecular dynamics technique to investigate the compatibility and mechanical properties of Polyacrylamide (PAM)/Polyvinyl alcohol (PVA) blends.
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We investigate the mechanism of TiN oxidation using spectroscopic and first principles molecular dynamics techniques.
Molecular dynamics techniques have been used to investigate the pronounced permeability and selectivity of polymers of intrinsic microporosity (PIM).
In this paper, molecular dynamics techniques are successfully used to identify these diamond tool wear mitigation mechanisms.
In the Hybrid Monte Carlo formalism discussed in this work trial moves are proposed by resorting to molecular dynamics techniques.
After receiving his Ph.D., Dr. Postol joined the staff of Argonne National Laboratory, where he studied the microscopic dynamics and structure of liquids and disordered solids using neutron, x-ray and light scattering, along with computer molecular dynamics techniques.
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