Zobrazeno 1 - 10
of 70
pro vyhledávání: '"Christian Mailhiot"'
Autor:
Robert P. Dick, Rob Aitken, Jace Mogill, John Paul Strachan, Kirk Bresniker, Wei Lu, Yorie Nakahira, Zhiyong Li, Matthew J. Marinella, William Severa, A. Alec Talin, Craig M. Vineyard, Suhas Kumar, Christian Mailhiot, Lennie Klebanoff
Publikováno v:
Computer. 56:47-58
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2a7e85f1c1c24ba49a5bb563f14b698d
https://doi.org/10.1109/mc.2022.3180987
https://doi.org/10.1109/mc.2022.3180987
Autor:
Rob Aitken, Yorie Nakahira, John Strachan, Kirk Bresniker, Ian Young, Zhiyong Li, Leonard Klebanoff, Carrie Burchard, Suhas Kumar, Matthew Marinella, William Severa, Albert Talin, Craig Vineyard, Christian Mailhiot, Robert Dick, Wei Lu, Jace Mogill
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8f3f03d5a5bcc419842cfea6178d32cc
https://doi.org/10.2172/1821804
https://doi.org/10.2172/1821804
Autor:
Giulia Galli, Francois Gygi, Hyunchae Cynn, Daniel Häusermann, V. Iota, Malcolm Nicol, Stefan Carlson, Christian Mailhiot, Choong-Shik Yoo
Publikováno v:
Physical Review Letters. 83:5527-5530
The crystal structures of two molecular phases (I and III) and a polymeric phase (V) of CO2 have been investigated to 60 GPa. CO2-1 (Pa3) transforms to CO2-III (Cmca) at 12 GPa with almost no change of density. Although CO2-III persists in Cmca to at
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb7ee68a242f0aa39d74d901b2ae834c
https://doi.org/10.1103/physrevlett.83.5527
https://doi.org/10.1103/physrevlett.83.5527
Autor:
Christian Mailhiot
Publikováno v:
Journal of Computer-Aided Materials Design. 5:95-107
In response to the unprecedented national security challenges derived from the end of nuclear testing, the Defense Programs of the Department of Energy has developed a long-term strategic plan based on a vigorous Science-Based Stockpile Stewardship (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95a1a16ec5a7fe7227edcfa3908f7070
https://doi.org/10.1023/a:1008614107333
https://doi.org/10.1023/a:1008614107333
Publikováno v:
Physical Review B. 56:13172-13176
Vacancy-mediated diffusion of substitutional impurities in Si drastically depends on the character of the impurity-vacancy interaction. The attractive interaction which extends to at least the third nearest neighbors allows a vacancy to move along a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0d24817beb972f0233e359a1f90ced03
https://doi.org/10.1103/physrevb.56.13172
https://doi.org/10.1103/physrevb.56.13172
Publikováno v:
Physical Review B. 55:11330-11341
{ital Ab initio} calculations are used to propose a unified model for the pressure-temperature phase diagram of solid molecular hydrogen. Path integral Monte Carlo calculations model the orientational order-disorder transition of spatially symmetric
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e539da9ec6dc3fcc24ca1d877679123f
https://doi.org/10.1103/physrevb.55.11330
https://doi.org/10.1103/physrevb.55.11330
Publikováno v:
Physical Review B. 52:11784-11792
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::44f456fc2fc09e8b7e3b0029b02b6b4d
https://doi.org/10.1103/physrevb.52.11784
https://doi.org/10.1103/physrevb.52.11784
Publikováno v:
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 102:29-32
Ab initio pseudopotential calculations were performed to obtain the formation energies of point defects in crystalline Si. A supercell of 64 Si atoms was used for the calculations. For the self-interstitial defect, a weak bond is formed between two d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3be6ac113ef7aa433ae2f798df571e36
https://doi.org/10.1016/0168-583x(95)80112-y
https://doi.org/10.1016/0168-583x(95)80112-y
Autor:
K. E. Miyano, John E. Klepeis, Joseph C. Woicik, Tom Kendelewicz, M. Methfessel, Alberto Herrera-Gomez, Christian Mailhiot, S. H. Southworth, M. van Schilfgaarde
Publikováno v:
Physical Review B. 51:10774-10778
A combination of x-ray standing-wave measurements and first-principles total-energy calculations have determined the surface relaxation of the clean CdTe(110) surface. These two methodologies directly determine the local atomic geometry and therefore
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de09f544bb631e49aa87b39ea844111f
https://doi.org/10.1103/physrevb.51.10774
https://doi.org/10.1103/physrevb.51.10774