Zobrazeno 1 - 10
of 74
pro vyhledávání: '"Steven M. Valone"'
Publikováno v:
Chemical Physics. 448:26-33
We develop a first principles approach towards the ionicity of fragments. In contrast to the bond ionicity, the fragment ionicity refers to an electronic property of the constituents of a larger system, which may vary from a single atom to a function
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::77b289720754f369dac6329eb351a44a
Autor:
Steven M. Valone, Richard G. Hoagland
Publikováno v:
Philosophical Magazine. 95:112-131
In this article, we examine the conditions that favour the emission of Shockley partial dislocations (SPDs) that standoff from a grain boundary (GB) plane by a few lattice parameters as part of the atomic structure of some GBs. To do so, we consider
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d1b7bec0e7190093720afe5451ea9aa7
https://doi.org/10.1080/14786435.2014.987842
https://doi.org/10.1080/14786435.2014.987842
Publikováno v:
AIP Conference Proceedings.
For ductile metals, the process of dynamic fracture occurs through nucleation, growth and coalescence of voids. For high purity single-phase metals, it has been observed by numerous investigators that voids tend to heterogeneously nucleate at grain b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f484921d4e42a14293ce5259bd68d8a5
https://doi.org/10.1063/1.4971605
https://doi.org/10.1063/1.4971605
Autor:
Christian Brandl, Steven M. Valone, George T. Gray, Timothy C. Germann, Saryu Fensin, Juan P. Escobedo-Diaz, Ellen K. Cerreta
Publikováno v:
Acta Materialia. 64:113-122
We investigate the effect of grain boundary inclination with respect to the loading direction on void nucleation at a boundary, using plate impact experiments on polycrystalline copper. Examination of damaged specimens reveals that boundaries perpend
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::430cc6b4394bfc813c37bd9996e8870b
https://doi.org/10.1016/j.actamat.2013.11.026
https://doi.org/10.1016/j.actamat.2013.11.026
Autor:
George T. Gray, Timothy C. Germann, Christian Brandl, Steven M. Valone, S. J. Fensin, Ellen K. Cerreta
Publikováno v:
JOM. 65:410-418
We investigate the responses of four representative grain boundaries in face-centered cubic Cu bicrystals to shock compression as a function of the loading direction. Two loading directions are considered, either parallel or perpendicular to the grai
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9d169f705b67ec6e7576436418bcd1e0
https://doi.org/10.1007/s11837-012-0546-3
https://doi.org/10.1007/s11837-012-0546-3
Publikováno v:
Materials; Volume 5; Issue 6; Pages: 1040-1054
Materials, Vol 5, Iss 6, Pp 1040-1054 (2012)
Materials
Materials, Vol 5, Iss 6, Pp 1040-1054 (2012)
Materials
The δ phase of plutonium with the fcc structure exhibits an unusual negative thermal expansion (NTE) over its narrow temperature range of stability, 593–736 K. An accurate description of the anomalous high-temperature volume effect of plutonium go
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24b303a0d40d8cb0871024688d4e9510
https://doi.org/10.3390/ma5061040
https://doi.org/10.3390/ma5061040
Publikováno v:
Journal of Nuclear Materials. 422:20-26
Basic concepts from the multi-reference state formalism for determining the functions for the modified embedded atom method (MEAM) are adopted to modeling elemental plutonium (Pu). In the case of elemental Pu, the focus is on the background electron
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e13ddb867abf3be5be6c1e75e0a86eed
https://doi.org/10.1016/j.jnucmat.2011.12.014
https://doi.org/10.1016/j.jnucmat.2011.12.014
Autor:
Steven M. Valone
Publikováno v:
The Journal of Physical Chemistry Letters. 2:2618-2622
A model Hamiltonian has been derived that defines energies for different integer charge states of each fragment, embedded in a molecule or a material. That model leads to a concept of fragment hardness that is related to a variable other than the squ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::166a7ad1aad2082101a4492b33d2b23b
https://doi.org/10.1021/jz200968a
https://doi.org/10.1021/jz200968a
Autor:
Shenyang Y. Hu, Charles H. Henager, Marius Stan, Michael I. Baskes, Howard L. Heinisch, Steven M. Valone
Publikováno v:
Journal of Nuclear Materials. 392:292-300
A phase-field model was developed to simulate the accumulation and transport of fission products and the evolution of gas bubble microstructures in nuclear fuels. The model takes into account the generation of gas atoms and vacancies, and the elastic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6162569b9bb1de57d0a4a1bfe3282845
https://doi.org/10.1016/j.jnucmat.2009.03.017
https://doi.org/10.1016/j.jnucmat.2009.03.017
Publikováno v:
International Journal of Quantum Chemistry. 20:341-353
The absorption part of a local optical potential for electron-He scattering is obtained from an energy-dependent polarization potential by numerically solving the dispersion relation relating the real and imaginary parts of the optical potential. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::58fef2f6ada04dcd613da40886dd2575
https://doi.org/10.1002/qua.560200836
https://doi.org/10.1002/qua.560200836