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Electron and nuclear pressures in electron-nucleus mixtures

電子-原子核混合系の電子及び原子核圧力

千原 順三*; 山極 満

Chihara, Junzo*; Yamagiwa, Mitsuru

電子-原子核混合系に対して電子及び原子核の圧力をビリアル定理より定式化する。電子圧力は旧来の運動論的エネルギーの2倍とポテンシャルエネルギーの和という表現から原子核のビリアル項が差し引かれている点で異なり、旧来の電子圧力の定義が不適切であることを示す。さらに、真空中の金属においては、電子圧力,原子核圧力ともに同時に零となることを明らかにする。これは、零圧力が電子圧力と原子核圧力の相殺によって実現され、それぞれは零ではないという旧来の観点とは対照的である。これらの事実に基づいて単純な液体金属の状態方程式を導き、アルカリ金属の場合の数値検証を行う。

For a solid metal with frozen nuclei, the density-functional theory provides a unique definition of the electron pressure in an electron-nucleus mixture, and the total pressure of this mixture is represented as the sum of the electron and nuclear pressures. This fact leads to definitions of the electron and nuclear pressures on the basis of the virial theorem in terms of the wall potentials confining the electrons and nuclei. These definitions take a general form applicable without use of the adiabatic approximation. In this situation, we show that Janak's definition of the electron pressure in terms of the nuclear virial term is inappropriate; a similar statement holds for the definition of the stress tensor in this mixture. It is also demonstrated that both the electron and nuclear pressures become zero individually for a metal in vacuum, in contrast to the conventional understanding, according to which zero pressure is realized as a result of a cancellation of the electron and nuclear pressures. On the basis of these facts, a simple equation of state for liquid metals is derived, and it is examined numerically for the case of liquid alkaline metals by use of the quantum hypernetted chain equation and the Ashcroft model potential.

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パーセンタイル:88.41

分野:Physics, Multidisciplinary

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