Zobrazeno 1 - 10
of 19
pro vyhledávání: '"J. V. Lill"'
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:
Journal of Phase Equilibria. 18:495-498
The development of methods for the accurate calculation of interfacial free energies would have important consequences for predicting the mechanical and thermodynamic behavior of metals and other materials. For example, the passage of a dislocation t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c043e892e9085617acc0200348cb4bc2
https://doi.org/10.1007/bf02665802
https://doi.org/10.1007/bf02665802
Publikováno v:
Physical Review B. 55:2808-2817
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fec5e8d0d2b7b2c3512f68800026c3dd
https://doi.org/10.1103/physrevb.55.2808
https://doi.org/10.1103/physrevb.55.2808
Autor:
Jeremy Q. Broughton, J. V. Lill
Publikováno v:
Physical Review B. 49:11619-11633
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ab8789f60d17304eb8ceb51fd0d3041
https://doi.org/10.1103/physrevb.49.11619
https://doi.org/10.1103/physrevb.49.11619
Publikováno v:
Applied Physics Letters. 65:711-713
The temperature dependence of germanium surface segregation during growth by solid source SiGe molecular beam epitaxy (MBE) was studied by x‐ray photoelectron spectroscopy and kinetic Monte Carlo (KMC) modeling. Germanium segregation persisted at t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::05d0158302142ace382ae0948fb6484a
https://doi.org/10.1063/1.112277
https://doi.org/10.1063/1.112277
Autor:
J. V. Lill, Jeremy Q. Broughton
Publikováno v:
Physical Review B. 63
Dynamical variables are incorporated into Parrinello-Rahman simulations that allow for slipping of the simulation cell relative to its periodic images above and below a specified plane. Equations of motion are derived that show the slip to be determi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2808324281ce979f25482b5a00870e3f
https://doi.org/10.1103/physrevb.63.144102
https://doi.org/10.1103/physrevb.63.144102
Autor:
Jeremy Q. Broughton, J. V. Lill
Publikováno v:
Physical review letters. 84(25)
The method of Parrinello and Rahman is generalized to include slip in addition to deformation of the simulation cell. Equations of motion are derived, and a microscopic expression for traction is introduced. Lagrangian constraints are imposed so that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a789b7d005449a30c944c291a5ff9fb1
https://pubmed.ncbi.nlm.nih.gov/10991054
https://pubmed.ncbi.nlm.nih.gov/10991054
Publikováno v:
MRS Proceedings. 340
The temperature dependence of germanium surface segregation during growth by solid source SiGe molecular beam epitaxy was studied by x-ray photoelectron spectroscopy and kinetic Monte Carlo (KMC) modeling. Germanium segregation persisted at temperatu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a9253f25c084d96f8e2703b7a221227b
https://doi.org/10.1557/proc-340-47
https://doi.org/10.1557/proc-340-47
Autor:
J. V. Lill, Jeremy Q. Broughton
Publikováno v:
Physical review. B, Condensed matter. 48(5)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2b6089d95e1301afd2eeae4a5fe3e38
https://pubmed.ncbi.nlm.nih.gov/10008802
https://pubmed.ncbi.nlm.nih.gov/10008802