NIST logo

Publications Portal

You searched on:
Author: vincent shen
Sorted by: title

Displaying records 1 to 10 of 24 records.
Resort by: Date / Title


1. Available states and available space: Static properties that predict dynamics of confined fluids
Published: 4/8/2009
Authors: Vincent K Shen, Gaurav Goel, William P. Krekelberg, Mark J. Pond, Jeetain Mittal, Jeffrey R. Errington, Thomas M. Truskett
Abstract: Although classical density functional theory provides reliable predictions for the static properties of simple equilibrium fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901188

2. Coarse-Grained Strategy for Modeling Protein Stability in Concentrated Solutions III: Directional Protein Interactions
Published: 6/1/2007
Authors: Jason K. Cheung, Vincent K Shen, Jeffrey R. Errington, Thomas M. Truskett
Abstract: We introduce an extension to the coarse-grained modeling strategy described in parts I and II of this investigation to account for the possibility of non-uniform spatial distributions of hydrophobic residues on the solvent-exposed surfaces of native ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831991

3. Comparative Study of the Effect of Tail Corrections on Surface Tension Determined by Molecular Simulation
Published: 5/12/2007
Authors: Vincent K Shen, Raymond Dale Mountain, Jeffrey R. Errington
Abstract: We report results from a comparative study of the influence of tail corrections on the surface tension of the Lennard-Jones fluid. We find that cutoff-independent surface tensions can be obtained by applying a set of tail corrections recently introdu ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=832000

4. Composition and concentration anomalies for structure and dynamics of Gaussian-core mixtures
Published: 8/25/2009
Authors: Vincent K Shen, Mark J. Pond, William P. Krekelberg, Jeffrey R. Errington, Thomas M. Truskett
Abstract: We report molecular dynamics simulation results for two-component fluid mixtures of Gaussian-core particles, focusing on how tracer diffusivities and static pair correlations depend on temperature, particle concentration, and composition. At low part ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=903634

5. Confinement, Entropy, and Single-Particle Dynamics of Equilibrium Hard-Sphere Mixtures
Published: 10/18/2007
Authors: Jeetain Mittal, Vincent K Shen, Jeffrey R. Errington, Thomas M. Truskett
Abstract: We use discontinuous molecular dynamics and grand-canonical transition-matrix Monte Carlo simulations to explore how confinement between parallel hard walls modifies the relationships between packing fraction, self-diffusivity, partial molar excess e ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=832009

6. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores
Published: 10/25/2013
Authors: William P Krekelberg, Vincent K Shen, Daniel W Siderius, Thomas M. Truskett, Jeffrey R. Errington
Abstract: We investigate the structural and diffusive dynamics properties of a model fluid in highly-absorptive cylindrical pores. At subcritical temperatures, self diffusion displays three distinct regimes as a function of average pore density ρ: 1) a de ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=914566

7. Determination of Fluid-Phase Behavior Using Transition-Matrix Monte Carlo: Binary Lennard-Jones Mixtures
Published: 2/1/2005
Authors: Vincent K Shen, Jeffrey R. Errington
Abstract: We present a new computational methodology for determining fluid-phase equilibria in binary mixtures. The method is based on a combination of highly efficient transition-matrix Monte Carlo and histogram reweighting. In particular, a directed grand-ca ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831946

8. Determination of Surface Tension in Binary Mixtures Using Transition-Matrix Monte Carlo
Published: 1/1/2006
Authors: Vincent K Shen, Jeffrey R. Errington
Abstract: We present a methodology based on grand-canonical transition-matrix Monte Carlo and finite-size scaling analysis to calculate surface tensions in binary mixtures. In particular, mixture transition-matrix Monte Carlo is first used to calculate apparen ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831971

9. Direct Evaluation of Multi-Component Phase Equilibria Using Flat-Histogram Methods
Published: 10/1/2005
Authors: Jeffrey R. Errington, Vincent K Shen
Abstract: We present a method for directly locating density-driven phase transitions in multi-component systems. Phase coexistence conditions are determined through manipulation of a total density probability distribution evaluated over a density range that i ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831960

10. Elucidating the Effects of Adsorbent Flexibility on Fluid Adsorption Using Simple Models and Flat-Histogram Sampling Methods
Published: 6/24/2014
Authors: Vincent K Shen, Daniel W Siderius
Abstract: Using flat-histogram Monte Carlo methods, we investigate the adsorptive behavior of the square-well fluid in two simple slit-pore- like models intended to capture fundamental characteristics of flexible adsorbent materials. The models require thermo ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=915704



Search NIST-wide:


(Search abstract and keywords)


Last Name:
First Name:







Special Publications:

Looking for a NIST Special Publication (NIST SP Series)? Place the series number and dash in the report number field (Example: 800-) and begin your search.

  • SP 250-XX: Calibration Services
  • SP 260-XX: Standard Reference Materials
  • SP 300-XX: Precision Measurement and Calibration
  • SP 400-XX: Semiconductor Measurement Technology
  • SP 480-XX: Law Enforcement Technology
  • SP 500-XX: Computer Systems Technology
  • SP 700-XX: Industrial Measurement Series
  • SP 800-XX: Computer Security Series
  • SP 823-XX: Integrated Services Digital Network Series