The Compressibility of Media under Extreme Pressures
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TLDR
The mating of Brazilian and Guatemalan flies is, therefore, selective rather than random; however, the particular type of selectivity here observed does not constitute a barrier to gene exchange.About:
This article is published in Proceedings of the National Academy of Sciences of the United States of America.The article was published on 1944-09-15 and is currently open access. It has received 6273 citations till now. The article focuses on the topics: Compressibility.read more
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Understanding the p-Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis
TL;DR: In this paper, a density functional theory investigation of delafossite CuBO2 has been carried out, examining the geometry and electronic structure using GGA corrected for on-site Coulomb interactions and a hybrid density functional (HSE06).
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Structural, mechanical and electronic properties of 3d transition metal nitrides in cubic zincblende, rocksalt and cesium chloride structures: a first-principles investigation.
TL;DR: In this article, the authors reported results from ab initio calculations with density functional theory on three cubic structures, zincblende (zb), rocksalt (rs) and cesium chloride (cc), of the ten 3D transition metal nitrides.
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Ab‐initio investigation of structural, electronic and optical properties for three phases of ZnO compound
TL;DR: In this paper, the complex density-functional theory (DFT) calculations of structural, electronic and optical properties for the three phases: wurtzite (B4), zincblende (B3), and rocksalt (B1) of ZnO compound have been reported using the full-potential linearized-augmented plane-wave (FP-LAPW) method as implemented in the WIEN2k code.
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The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials.
TL;DR: This work shows that the MS-CG method recovers only part of the atomistic free-energy landscape in the coarse-grain coordinates, and introduces density dependent MS- CG potentials, which are examined in simulations of nitromethane under various thermodynamic conditions, including shocked states.
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First Pressure Derivatives of Polycrystalline Elastic Moduli: Their Relation to Single‐Crystal Acoustic Data and Thermodynamic Relations
TL;DR: In this paper, the first pressure derivatives of polycrystalline elastic moduli can be predicted either from the corresponding derivatives of anisotropic singlecrystal elastic constants or from their single-crystal third-order elastic constants.