Zobrazeno 1 - 10
of 66
pro vyhledávání: '"Jeremy Q. Broughton"'
Publikováno v:
MRS Bulletin. 25:27-32
Our understanding of materials phenomena is based on a hierarchy of physical descriptions spanning the space-time regimes of electrons, atoms, and matter and given by the theories of quantum mechanics, statistical mechanics, and continuum mechanics.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c968ae32aa712d41fa6e81a22cee5b4
https://doi.org/10.1557/mrs2000.70
https://doi.org/10.1557/mrs2000.70
Autor:
J V Lill, Jeremy Q Broughton
Publikováno v:
Modelling and Simulation in Materials Science and Engineering. 8:345-355
The computation of a solid-solid interfacial free energy requires the calculation of the work required to form the interface from the perfect crystal along any reversible pathway. The practical difficulty lies in finding a computational path connecti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::38cd110558d10b35b481feae629b7077
https://doi.org/10.1088/0965-0393/8/3/314
https://doi.org/10.1088/0965-0393/8/3/314
Autor:
Jeremy Q Broughton, J V Lill
Publikováno v:
Modelling and Simulation in Materials Science and Engineering. 8:357-375
The use of either linear or nonlinear elastic theory in deriving methodologies for atomistic simulations is shown to be based on two very different views of the interaction of the `system' with the `reservoir'. These views may be related through the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d1ccd029322fd4fa8abc6722c31bba42
https://doi.org/10.1088/0965-0393/8/3/315
https://doi.org/10.1088/0965-0393/8/3/315
Publikováno v:
Physical Review B. 60:2391-2403
A strategic objective of computational materials physics is the accurate description of specific materials on length scales approaching the meso and macroscopic. We report on progress towards this goal by describing a seamless coupling of continuum t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::91e85f820dab0c92e8154dd819937eac
https://doi.org/10.1103/physrevb.60.2391
https://doi.org/10.1103/physrevb.60.2391
Autor:
Jeremy Q. Broughton, Michael J. Mehl
Publikováno v:
Physical Review B. 59:9259-9270
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::efe44a2a48401776075eab6ada119583
https://doi.org/10.1103/physrevb.59.9259
https://doi.org/10.1103/physrevb.59.9259
Publikováno v:
Europhysics Letters (EPL). 44:783-787
We have coupled the continuum, the atomistic, and the quantum descriptions of matter for a unified treatment of the dynamic fracture of silicon. We have devised schemes for handshaking between the finite-element, molecular dynamics and semi-empirical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::085e7378b182b48d5d0b2902df37a42a
https://doi.org/10.1209/epl/i1998-00536-9
https://doi.org/10.1209/epl/i1998-00536-9
Autor:
Bruce R. Land, David Lifka, Farid F. Abraham, W. E. Rudge, Dominique Brodbeck, David J. Schneider, Jeremy Q. Broughton, M. Rosenkrantz, Huajian Gao, J. Gerner, J. Skovira
Publikováno v:
Modelling and Simulation in Materials Science and Engineering. 6:639-670
As our title implies, we consider materials failure at the fundamental level of atomic bond breaking and motion. Using computational molecular dynamics, scalable parallel computers and visualization, we are studying the failure of notched solids unde
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0e9bd99db426a6db78309f4b3f8098ef
https://doi.org/10.1088/0965-0393/6/5/010
https://doi.org/10.1088/0965-0393/6/5/010
Autor:
Jeremy Q. Broughton, Robert E. Rudd
Publikováno v:
Physical Review B. 58:R5893-R5896
We develop a technique for simulation of the mechanics of micron-scale solid systems: coarse-grained molecular dynamics (CGMD). It captures the important atomistic effects without the computational cost of conventional molecular dynamics (MD). The CG
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d79b1f6821afe4d260c68dfe6de8115f
https://doi.org/10.1103/physrevb.58.r5893
https://doi.org/10.1103/physrevb.58.r5893
Autor:
Jeremy Q. Broughton, G H Gilmer
Publikováno v:
Modelling and Simulation in Materials Science and Engineering. 6:393-404
We present a harmonic analysis of symmetric tilt boundaries in face-centred cubic Lennard-Jones systems with a view to finding their thermodynamic properties. These results are used to predict those which are likely candidates for interface melting a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8ccbb1a627c961ea2e07395016f6a2c7
https://doi.org/10.1088/0965-0393/6/4/008
https://doi.org/10.1088/0965-0393/6/4/008
Autor:
Farid F. Abraham, Jeremy Q. Broughton
Publikováno v:
Computational Materials Science. 10:1-9
We are simulating the failure of three-dimensional notched fcc solids under mode one tension using molecular dynamics, simple interatomic potentials and system of tens of millions of atoms. We have discovered that crystal orientation with respect to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::44b5ba335510a8cc99962c223d55e04a
https://doi.org/10.1016/s0927-0256(97)00092-x
https://doi.org/10.1016/s0927-0256(97)00092-x