Elastocaloric response of PbTiO3 Predicted from a first-principles effective Hamiltonian

Jordan A. Barr; Scott P. Beckman; Takeshi Nishimatsu

doi:10.7566/JPSJ.84.024716

Elastocaloric response of PbTiO3 Predicted from a first-principles effective Hamiltonian

Jordan A. Barr, Scott P. Beckman, Takeshi Nishimatsu

金属材料研究所・材料設計研究部

研究成果: Article › 査読

10 被引用数 (Scopus)

抄録

A first-principles effective Hamiltonian is used in a molecular dynamics simulation to study the elastocaloric effect in PbTiO₃. It is found that the transition temperature is a linear function of uniaxial tensile stress. A negative temperature change is calculated, when the uniaxial tensile stress is switched off, as a function of the initial temperature ΔT(T_initial ). It is predicted that the formation of domain structures under uniaxial tensile stress degrades the effectiveness of the elastocaloric effect.

本文言語	English
論文番号	024716
ジャーナル	journal of the physical society of japan
巻	84
号	2
DOI	https://doi.org/10.7566/JPSJ.84.024716
出版ステータス	Published - 2015 2月 15

ASJC Scopus subject areas

物理学および天文学（全般）

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10.7566/JPSJ.84.024716

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abstract = "A first-principles effective Hamiltonian is used in a molecular dynamics simulation to study the elastocaloric effect in PbTiO3. It is found that the transition temperature is a linear function of uniaxial tensile stress. A negative temperature change is calculated, when the uniaxial tensile stress is switched off, as a function of the initial temperature ΔT(Tinitial ). It is predicted that the formation of domain structures under uniaxial tensile stress degrades the effectiveness of the elastocaloric effect.",

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AU - Beckman, Scott P.

AU - Nishimatsu, Takeshi

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AB - A first-principles effective Hamiltonian is used in a molecular dynamics simulation to study the elastocaloric effect in PbTiO3. It is found that the transition temperature is a linear function of uniaxial tensile stress. A negative temperature change is calculated, when the uniaxial tensile stress is switched off, as a function of the initial temperature ΔT(Tinitial ). It is predicted that the formation of domain structures under uniaxial tensile stress degrades the effectiveness of the elastocaloric effect.

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Elastocaloric response of PbTiO3 Predicted from a first-principles effective Hamiltonian

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