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Ab initio EOS for water-hydrogen mixtures

B2FIND2026-03-19 收录

冰行星内部模拟

高压状态方程

数据链接：

https://b2find.eudat.eu/dataset/1ac7d9e8-d2e3-516b-9c9a-cbba0b6b8098 数据链接链接失效反馈

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资源简介：

We present results from ab initio simulations of liquid water-hydrogen mixtures in the range from 2 to 70GPa and from 1000 to 6000K, covering conditions in the interiors of ice...

应用场景：

高压状态方程

稀有气体化合物

The discovery of noble gas compounds in the early 1960s is a landmark in Inorganic Chemistry, but relatively little is known about their response to high pressure. Crystal structures of compounds cont

DataCite Commons2025-07-09 更新30

Equation of state of solid Ne inter-calibrated with the MgO, Au, Pt, NaCl-B2, and ruby pressure scales up to 130 GPa

高压状态方程

压力标尺校准

We measured the unit-cell volume of thermally annealed solid Ne at 30–130 GPa, which is loaded together with MgO and Pt or Au in diamond-anvil cells. Laser annealing significantly reduced the deviator

NIAID Data Ecosystem20

Hydrogen-Neon Equation of state

高压状态方程

材料计算模拟

Equation-of-state data for H-Ne mixtures from DFT-MD simulations. Listed are hydrogen fraction x_H, density rho, temperature T, pressure P, and internal energy per atom U.

Zenodo2026-06-04 更新00

Thermodynamics of Non-Uniform Compression in H-Bonded Molecular Solids

分子固体热力学

高压状态方程

Equations of state (EoSs) show how the thermodynamic variables of temperature, pressure and volume are inter-related. The ideal gas law, PV = nRT, is an example of an EoS which...

B2FIND20

Equation of state of solid Ne inter-calibrated with the MgO, Au, Pt, NaCl-B2, and ruby pressure scales up to 130 GPa

高压状态方程

材料压力标定

Figshare2018-11-16 更新10