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1 . Academic Journal
Learning grain boundary segregation behavior through fingerprinting complex atomic environments
저자
by
Jacob P. Tavenner
;
Ankit Gupta
;
Gregory B. Thompson
;
Edward M. Kober
;
Garritt J. Tucker
.
소스
Communications Materials, Vol 5, Iss 1, Pp 1-13 (2024)
Open Access (DOAJ)
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Scopus
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7 . Academic Journal
Role of microscopic degrees of freedom in mechanical response of bicrystal nanopillars
저자
by
Avanish Mishra
;
Khanh Dang
;
Edward M. Kober
;
Saryu J. Fensin
;
Nithin Mathew
.
소스
Materials Research Letters, Vol 11, Iss 10, Pp 872-878 (2023)
Open Access (DOAJ)
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7 . Academic Journal
Ordering and Reverse Ordering Mechanisms of Triblock Copolymers in the Presence of Solvent
저자
by
Panagiotis Maniadis
;
Kim O. Rasmussen
;
Russell B. Thompson
;
Edward M. Kober
.
소스
International Journal of Molecular Sciences, Vol 10, Iss 3, Pp 805-816 (2009)
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6 .
Developing Reaction Chemistry Models from Reactive Molecular Dynamics: TATB
저자
by
Edward M. Kober
.
소스
Propellants, Explosives, Pyrotechnics
. 47
Open Access (OpenAIRE)
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3 .
Unsupervised Learning-Based Multiscale Model of Thermochemistry in 1,3,5-Trinitro-1,3,5-triazinane (RDX)
저자
by
Edward M. Kober
;
Alejandro Strachan
;
Mahbubul Islam
;
Ahmed Hamed
;
Nicolò Grilli
, et al.
소스
The journal of physical chemistry. A
. 124(44)
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7 .
Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters
저자
by
Edward M. Kober
;
Marc J. Cawkwell
;
Virginia W. Manner
;
Daniel N. Preston
;
Hongzhao Tian
, et al.
소스
Chemical Science
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7 .
Effective particle size from molecular dynamics simulations in fluids
저자
by
Edward M. Kober
;
Antonio Redondo
;
Kim Ø. Rasmussen
;
Jianwei Ju
;
Peter Vorobieff
, et al.
소스
Theoretical and Computational Fluid Dynamics
. 32:215-233
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7 . Academic Journal
Carbon Cluster Formation during Thermal Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-Triamino-2,4,6-trinitrobenzene High Explosives from ReaxFF Reactive Molecular Dynamics Simulations.
저자
by
Luzheng Zhang
;
Sergey V. Zybin
;
Adri C. T. van Duin
;
Siddharth Dasgupta
;
William A. Goddard
, et al.
소스
Journal of Physical Chemistry A
. Oct2009, Vol. 113 Issue 40, p10619-10640. 22p.
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7 . Academic Journal
A molecular dynamics simulation and quantum chemistry study of poly(dimethylsiloxane)–silica nanoparticle interactions.
저자
by
James S. Smith
;
Oleg Borodin
;
Grant D. Smith
;
Edward M. Kober
.
소스
Journal of Polymer Science Part B: Polymer Physics
. Jul2007, Vol. 45 Issue 13, p1599-1615. 17p.
Scopus
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6 .
Probing ultrafast shock-induced chemistry in liquids using broad-band mid-infrared absorption spectroscopy
저자
by
Shawn McGrane
;
Michael S. Powell
;
Marc J. Cawkwell
;
Romain Perriot
;
Pamela Bowlan
, et al.
소스
The Journal of chemical physics
. 150(20)
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