Zobrazeno 1 - 10
of 227
pro vyhledávání: '"Oleynik, Ivan"'
Autor:
Nguyen-Cong, Kien, Willman, Jonathan T., Gonzalez, Joseph M., Williams, Ashley S., Belonoshko, Anatoly B., Moore, Stan G., Thompson, Aidan P., Wood, Mitchell A., Eggert, Jon H., Millot, Marius, Zepeda-Ruiz, Luis A., Oleynik, Ivan I.
Diamond possesses exceptional physical properties due to its remarkably strong carbon-carbon bonding, leading to significant resilience to structural transformations at very high pressures and temperatures. Despite several experimental attempts, synt
Externí odkaz:
http://arxiv.org/abs/2401.08884
Carbon at extreme conditions is the focus of intensive scientific inquiry due to its importance for applications in inertial confinement fusion experiments and for understanding the interior structure of carbon-rich exoplanets. The extreme metastabil
Externí odkaz:
http://arxiv.org/abs/2211.09974
Autor:
Willman, Jonathan T., Gonzalez, Joseph M., Nguyen-Cong, Kien, Hamel, Sebastien, Lordi, Vincenzo, Oleynik, Ivan I.
Publikováno v:
Journal of Chemical Physics; 8/28/2024, Vol. 161 Issue 8, p1-15, 15p
Autor:
Willman, Jonathan T., Nguyen-Cong, Kien, Williams, Ashley S., Belonoshko, Anatoly B., Moore, Stan G., Thompson, Aidan P., Wood, Mitchell A., Oleynik, Ivan I.
A Spectral Neighbor Analysis (SNAP) machine learning interatomic potential (MLIP) has been developed for simulations of carbon at extreme pressures (up to 5 TPa) and temperatures (up to 20,000 K). This was achieved using a large database of experimen
Externí odkaz:
http://arxiv.org/abs/2205.01209
Silver pentazolate, a high energy density compound containing cyclo-N5- anion, has recently been synthesized at ambient conditions. However, due to high sensitivity to irradiation, its crystal structure has not been determined. In this work, silver-n
Externí odkaz:
http://arxiv.org/abs/2111.01240
Autor:
Chen, Guannan, Howard, Sean T., Maghirang III, Aniceto B., Cong, Kien Nguyen, Cai, Kehan, Ganguli, Somesh C., Sweich, Waclaw, Morosan, Emilia, Oleynik, Ivan I., Chuang, Feng-Chuan, Lin, Hsin, Madhavan, Vidya
Publikováno v:
Phys. Rev. B 102, 115149 (2020)
The electronic and magnetic properties of transition metal dichalcogenides are known to be extremely sensitive to their structure. In this paper we study the effect of structure on the electronic and magnetic properties of mono- and bilayer $VSe_2$ f
Externí odkaz:
http://arxiv.org/abs/1912.12798
Autor:
Steele, Brad A., Oleynik, Ivan I.
Polynitrogen compounds have attracted great interest due to their potential applications as high energy density materials. Most recently, a rich variety of alkali polynitrogens (R_{x}N_{y}; R=Li, Na, and Cs) have been predicted to be stable at high p
Externí odkaz:
http://arxiv.org/abs/1710.09914
Autor:
Steele, Brad A., Oleynik, Ivan I.
Ternary C_{x}N_{y}O_{z} compounds are actively researched as novel high energy density and ultrahard materials. Although some synthesis work has been performed at ambient conditions, very little is known about the high pressure chemistry of of C_{x}N
Externí odkaz:
http://arxiv.org/abs/1710.03652
Tin sulfides SnxSy are important class of materials that are actively investigated as novel photovoltaic and water splitting materials. First-principles evolutionary crystal structure search is performed with the goal of constructing the complete pha
Externí odkaz:
http://arxiv.org/abs/1710.03642
SnxSey crystalline compounds consisting of Sn and Se atoms of varying composition are systematically investigated at pressures from 0 to 100 GPa using the first-principles evolutionary crystal structure search method based on density functional theor
Externí odkaz:
http://arxiv.org/abs/1709.07570