SESAME 7363: A new Li(6)D equation of state

Sheppard, Daniel Glen¹  Kress, Joel David¹  Crockett, Scott¹  Collins, Lee A.¹  Greeff, Carl William¹ 

[1] Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

关键词: equation of state;    LiD;    orbital-free;   

DOI  :  10.2172/1215825
RP-ID  :  LA-UR--15-27354
PID  :  OSTI ID: 1215825

学科分类：材料科学（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

A new Equation of State (EOS) for Lithium 6 Deuteride (⁶LiD) was created, sesame 7363. This EOS was released to the user community under ???eos-developmental??? as sesame 97363. The construction of this new EOS is a modification of a previously released EOS, sesame 7360¹. Sesame 7360 is too stiff (5-10% excess pressure) at high compressions and high temperatures (?? = 4-110g/cm³, T = 30-10,000 eV) compared to orbital-free density-functional theory. Sesame 7363 is softer and gives a better representation of the physics over this range without compromising the agreement with the experimental and simulation data that sesame 7360 was based on.