Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Todd D Beaudet"'
Publikováno v:
Scientific Reports
Scientific Reports, Vol 8, Iss 1, Pp 1-11 (2018)
Scientific Reports, Vol 8, Iss 1, Pp 1-11 (2018)
The linear polymer poly(p-phenylene terephthalamide), better known by its tradename Kevlar, is an icon of modern materials science due to its remarkable strength, stiffness, and environmental resistance. Here, we propose a new two-dimensional (2D) po
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7064bd9aae7a5db8903ebf19130bef3f
https://pubmed.ncbi.nlm.nih.gov/29487406
https://pubmed.ncbi.nlm.nih.gov/29487406
Publikováno v:
Solid State Communications. 219:43-47
The surface energy of the boron carbide polytype B11Cp(CBC) for planar separations along {1011} was determined to be 3.21 J/m2 via first-principles density-functional computations. Surface atomic relaxations are relatively large, thereby lowering the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6aa80b8582aa46f3edce8535ad6616b
https://doi.org/10.1016/j.ssc.2015.06.021
https://doi.org/10.1016/j.ssc.2015.06.021
Publikováno v:
Journal of the Mechanics and Physics of Solids. 82:23-31
The remarkable properties of graphene, including unusually high mechanical strength and stiffness, have been well-documented. In this paper, we combine an analytical solution for ballistic impact into a thin isotropic membrane, with ab initio density
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::81cfa2cc41538e00a315b1accc43309b
Publikováno v:
Dynamic Behavior of Materials, Volume 1 ISBN: 9783319411316
A graphene/polyethylene hybrid 2D polymer, “graphylene”, exhibits a higher theoretical fracture toughness than graphene, while remaining 2× stiffer and 9× stronger than Kevlar®, per mass. Within the base structure of graphylene, the sp3-bonded
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e7bddcf834f9abc411990cc975279dd
https://doi.org/10.1007/978-3-319-41132-3_1
https://doi.org/10.1007/978-3-319-41132-3_1
Publikováno v:
Nanoscale. 8(21)
As the simplest two-dimensional (2D) polymer, graphene has immensely high intrinsic strength and elastic stiffness but has limited toughness due to brittle fracture. We use atomistic simulations to explore a new class of graphene/polyethylene hybrid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::caea27568e4d9e337ed9db40ca036cb0
https://pubmed.ncbi.nlm.nih.gov/26996950
https://pubmed.ncbi.nlm.nih.gov/26996950
Publikováno v:
129 (2008).
info:cnr-pdr/source/autori:Beaudet, TD; Casula, M; Kim, J; Sorella, S; Martin, RM/titolo:Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study/doi:/rivista:/anno:2008/pagina_da:/pagina_a:/intervallo_pagine:/volume:129
info:cnr-pdr/source/autori:Beaudet, TD; Casula, M; Kim, J; Sorella, S; Martin, RM/titolo:Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study/doi:/rivista:/anno:2008/pagina_da:/pagina_a:/intervallo_pagine:/volume:129
We present a quantum Monte Carlo study of the hydrogen-benzene system where binding is very weak. We demonstrate that the binding is well described at both variational Monte Carlo (VMC) and diffusion Monte Carlo (DMC) levels by a Jastrow correlated s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2efeceb36d3009f55049f30f73024e66
http://hdl.handle.net/20.500.11767/16899
http://hdl.handle.net/20.500.11767/16899
Publikováno v:
The Journal of Chemical Physics. 138:054503
For many years there has been significant interest in polymeric phases of nitrogen at low pressure for potential application as an energetic material. This was the result of years of theoretical work indicating potentially meta-stable polymeric nitro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::36efa534337c47c76a42cda970dd312e
https://doi.org/10.1063/1.4789307
https://doi.org/10.1063/1.4789307
Autor:
Jeongnim Kim, Andrew T Baczewski, Todd D Beaudet, Anouar Benali, M Chandler Bennett, Mark A Berrill, Nick S Blunt, Edgar Josué Landinez Borda, Michele Casula, David M Ceperley, Simone Chiesa, Bryan K Clark, Raymond C Clay III, Kris T Delaney, Mark Dewing, Kenneth P Esler, Hongxia Hao, Olle Heinonen, Paul R C Kent, Jaron T Krogel
Publikováno v:
Journal of Physics: Condensed Matter; 5/16/2018, Vol. 30 Issue 19, p1-1, 1p