113 citations · 557 across the 19 of their papers we have counts for
7 papers · 1 filter
First-Principles Equation of State Database for Warm Dense Matter Computation
Burkhard Militzer, Felipe Gonzalez-Cataldo, Shuai Zhang +2
We put together a first-principles equation of state (FPEOS) database for matter at extreme conditions by combining results from path integral Monte Carlo and density functional mo…
Nonideal Mixing Effects in Warm Dense Matter Studied with First-Principles Computer Simulations
Burkhard Militzer, Felipe Gonzalez-Cataldo, Shuai Zhang +3
We study nonideal mixing effects in the regime of warm dense matter (WDM) by computing the shock Hugoniot curves of BN, MgO, and MgSiO_3. First, we derive these curves from the equ…
Benchmarking boron carbide equation of state using computation and experiment
Shuai Zhang, Michelle C. Marshall, Lin H. Yang +13
Boron carbide (BC) is of both fundamental scientific and practical interest in inertial confinement fusion (ICF) and high energy density physics experiments. We report the resu…
Crystal and Electronic Structure of GaTaSe From First-Principle Calculations
Shuai Zhang, Tiantian Zhang, Hongshan Deng +3
GaTaSe belongs to the lacunar spinel family. Its crystal structures is still a puzzle though there have been intensive studies on its novel properties, such as the Mott ins…
Comparison of ablators for the polar direct drive exploding pusher platform
Heather D. Whitley, G. Elijah Kemp, Charles Yeamans +36
We examine the performance of pure boron, boron carbide, high density carbon, and boron nitride ablators in the polar direct drive exploding pusher (PDXP) platform. The platform us…
Phase transformation in boron under shock compression
Shuai Zhang, Heather D. Whitley, Tadashi Ogitsu
Using first-principles molecular dynamics, we calculated the equation of state and shock Hugoniot of various boron phases. We find a large mismatch between Hugoniots based on exist…
Magnesium Oxide at Extreme Temperatures and Pressures Studied with First-Principles Simulations
François Soubiran, Felipe González-Cataldo, Kevin P. Driver +2
We combine two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, to determine the equation of state of ma…