1-20 of 31
Betsy M. Rice
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Bottom-up coarse-grain modeling of plasticity and nanoscale shear bands in α-RDX

Sergei Izvekov, Betsy M. Rice
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 064503 (2021)
https://doi.org/10.1063/5.0057223
Published: August 2021
View articletitled, Bottom-up coarse-grain modeling of plasticity and nanoscale shear bands in α-RDX
Open the PDF for Bottom-up coarse-grain modeling of plasticity and nanoscale shear bands in α-RDX in another window
Includes: Supplementary data
Journal Articles

Heuristics for chemical species identification in dense systems

Betsy M. Rice, William D. Mattson, James P. Larentzos, Edward F. C. Byrd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 064102 (2020)
https://doi.org/10.1063/5.0015664
Published: August 2020
View articletitled, Heuristics for chemical species identification in dense systems
Open the PDF for Heuristics for chemical species identification in dense systems in another window
Includes: Supplementary data
Journal Articles

A perspective on modeling the multiscale response of energetic materials

Betsy M. Rice
Journal: AIP Conference Proceedings
AIP Conf. Proc. 1793, 020003 (2017)
https://doi.org/10.1063/1.4971458
Published: January 2017
View articletitled, A perspective on modeling the multiscale response of energetic materials
Open the PDF for A perspective on modeling the multiscale response of energetic materials in another window
Journal Articles

A new parameter-free soft-core potential for silica and its application to simulation of silica anomalies

Sergei Izvekov, Betsy M. Rice
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 244506 (2015)
https://doi.org/10.1063/1.4937394
Published: December 2015
View articletitled, A new parameter-free soft-core potential for silica and its application to simulation of silica anomalies
Open the PDF for A new parameter-free soft-core potential for silica and its application to simulation of silica anomalies in another window
Journal Articles

Multi-scale coarse-graining of non-conservative interactions in molecular liquids

Sergei Izvekov, Betsy M. Rice
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 104104 (2014)
https://doi.org/10.1063/1.4866142
Published: March 2014
View articletitled, Multi-scale coarse-graining of non-conservative interactions in molecular liquids
Open the PDF for Multi-scale coarse-graining of non-conservative interactions in molecular liquids in another window
Journal Articles

New form of polymeric nitrogen from dynamic shock simulation

Todd D. Beaudet, William D. Mattson, Betsy M. Rice
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 054503 (2013)
https://doi.org/10.1063/1.4789307
Published: February 2013
View articletitled, New form of polymeric nitrogen from dynamic shock simulation
Open the PDF for New form of polymeric nitrogen from dynamic shock simulation in another window
Includes: Supplementary data
Journal Articles

Shock Hugoniot calculations of polymers using quantum mechanics and molecular dynamics

Tanya L. Chantawansri, Timothy W. Sirk, Edward F. C. Byrd, Jan W. Andzelm, Betsy M. Rice
Journal: The Journal of Chemical Physics
J. Chem. Phys. 137, 204901 (2012)
https://doi.org/10.1063/1.4767394
Published: November 2012
View articletitled, Shock Hugoniot calculations of polymers using quantum mechanics and molecular dynamics
Open the PDF for Shock Hugoniot calculations of polymers using quantum mechanics and molecular dynamics in another window
Journal Articles

Free-energy based pair-additive potentials for bulk Ni-Al systems: Application to study Ni-Al reactive alloying

Sergei Izvekov, Betsy M. Rice
Journal: The Journal of Chemical Physics
J. Chem. Phys. 137, 094704 (2012)
https://doi.org/10.1063/1.4747546
Published: September 2012
View articletitled, Free-energy based pair-additive potentials for bulk Ni-Al systems: Application to study Ni-Al reactive alloying
Open the PDF for Free-energy based pair-additive potentials for bulk Ni-Al systems: Application to study Ni-Al reactive alloying in another window
Includes: Supplementary data
Journal Articles

Mechanism of densification in silica glass under pressure as revealed by a bottom-up pairwise effective interaction model

Sergei Izvekov, Betsy M. Rice
Journal: The Journal of Chemical Physics
J. Chem. Phys. 136, 134508 (2012)
https://doi.org/10.1063/1.3696865
Published: April 2012
View articletitled, Mechanism of densification in silica glass under pressure as revealed by a bottom-up pairwise effective interaction model
Open the PDF for Mechanism of densification in silica glass under pressure as revealed by a bottom-up pairwise effective interaction model in another window
Includes: Supplementary data
Journal Articles

Multiscale modeling of energetic materials: Easy to say, harder to do

Betsy M Rice
Journal: AIP Conference Proceedings
AIP Conf. Proc. 1426, 1241–1246 (2012)
https://doi.org/10.1063/1.3686505
Published: March 2012
View articletitled, Multiscale modeling of energetic materials: Easy to say, harder to do
Open the PDF for Multiscale modeling of energetic materials: Easy to say, harder to do in another window
Journal Articles

Nonequilibrium molecular dynamics simulations of aluminum oxynitride

N. Scott Weingarten, Iskander G Batyrev, Betsy M Rice
Journal: AIP Conference Proceedings
AIP Conf. Proc. 1426, 1287–1290 (2012)
https://doi.org/10.1063/1.3686516
Published: March 2012
View articletitled, Nonequilibrium molecular dynamics simulations of aluminum oxynitride
Open the PDF for Nonequilibrium molecular dynamics simulations of aluminum oxynitride in another window
Journal Articles

Modeling of a random network of extended co solids

I. G. Batyrev, W. D. Mattson, Betsy M Rice
Journal: AIP Conference Proceedings
AIP Conf. Proc. 1426, 717–720 (2012)
https://doi.org/10.1063/1.3686379
Published: March 2012
View articletitled, Modeling of a random network of extended co solids
Open the PDF for Modeling of a random network of extended co solids in another window
Journal Articles

Particle-based multiscale coarse graining with density-dependent potentials: Application to molecular crystals (hexahydro-1,3,5-trinitro-s-triazine)

Sergei Izvekov, Peter W. Chung, Betsy M. Rice
Journal: The Journal of Chemical Physics
J. Chem. Phys. 135, 044112 (2011)
https://doi.org/10.1063/1.3607603
Published: July 2011
View articletitled, Particle-based multiscale coarse graining with density-dependent potentials: Application to molecular crystals (hexahydro-1,3,5-trinitro-s-triazine)
Open the PDF for Particle-based multiscale coarse graining with density-dependent potentials: Application to molecular crystals (hexahydro-1,3,5-trinitro-s-triazine) in another window
Journal Articles

Role of microstructure in initiation of Ni–Al reactive multilayers

Joshua C. Crone, Jaroslaw Knap, Peter W. Chung, Betsy M. Rice
Journal: Applied Physics Letters
Appl. Phys. Lett. 98, 141910 (2011)
https://doi.org/10.1063/1.3575576
Published: April 2011
View articletitled, Role of microstructure in initiation of Ni–Al reactive multilayers
Open the PDF for Role of microstructure in initiation of Ni–Al reactive multilayers in another window
Journal Articles

The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials

Sergei Izvekov, Peter W. Chung, Betsy M. Rice
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 064109 (2010)
https://doi.org/10.1063/1.3464776
Published: August 2010
View articletitled, The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials
Open the PDF for The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials in another window
Journal Articles

A molecular dynamics study of the role of pressure on the response of reactive materials to thermal initiation

N. Scott Weingarten, William D. Mattson, Anthony D. Yau, Timothy P. Weihs, Betsy M. Rice
Journal: Journal of Applied Physics
J. Appl. Phys. 107, 093517 (2010)
https://doi.org/10.1063/1.3340965
Published: May 2010
View articletitled, A molecular dynamics study of the role of pressure on the response of reactive materials to thermal initiation
Open the PDF for A molecular dynamics study of the role of pressure on the response of reactive materials to thermal initiation in another window
Includes: Supplementary data
Journal Articles

Determination of the pressure dependent melting temperatures of Al and Ni using molecular dynamics

N. Scott Weingarten, William D. Mattson, Betsy M. Rice
Journal: Journal of Applied Physics
J. Appl. Phys. 106, 063524 (2009)
https://doi.org/10.1063/1.3213342
Published: September 2009
View articletitled, Determination of the pressure dependent melting temperatures of Al and Ni using molecular dynamics
Open the PDF for Determination of the pressure dependent melting temperatures of Al and Ni using molecular dynamics in another window
Journal Articles

Chemical Reactions in Highly Non‐ideal Environments: Reactive Monte Carlo Simulations

John K. Brennan, C. Heath Turner, Betsy M. Rice, Keith E. Gubbins
Journal: AIP Conference Proceedings
AIP Conf. Proc. 690, 374–375 (2003)
https://doi.org/10.1063/1.1632152
Published: November 2003
View articletitled, Chemical Reactions in Highly Non‐ideal Environments: Reactive Monte Carlo Simulations
Open the PDF for Chemical Reactions in Highly Non‐ideal Environments: Reactive Monte Carlo Simulations in another window
Journal Articles

Molecular dynamics study of the melting of nitromethane

Paras M. Agrawal, Betsy M. Rice, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 119, 9617–9627 (2003)
https://doi.org/10.1063/1.1612915
Published: November 2003
View articletitled, Molecular dynamics study of the melting of nitromethane
Open the PDF for Molecular dynamics study of the melting of nitromethane in another window
Journal Articles

Molecular dynamics study of the effects of voids and pressure in defect-nucleated melting simulations

Paras M. Agrawal, Betsy M. Rice, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 118, 9680–9688 (2003)
https://doi.org/10.1063/1.1570815
Published: June 2003
View articletitled, Molecular dynamics study of the effects of voids and pressure in defect-nucleated melting simulations
Open the PDF for Molecular dynamics study of the effects of voids and pressure in defect-nucleated melting simulations in another window