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Thermal Transport in Disordered Materials
Nanoscale and Microscale Thermophysical Engineering ( IF 2.7 ) Pub Date : 2018-12-16 , DOI: 10.1080/15567265.2018.1519004
Freddy DeAngelis 1 , Murali Gopal Muraleedharan 2 , Jaeyun Moon 3 , Hamid Reza Seyf 1 , Austin J. Minnich 3 , Alan J. H. McGaughey 4 , Asegun Henry 1, 5, 6, 7
Affiliation  

ABSTRACT We review the status of research on thermal/phonon transport in disordered materials. The term disordered materials is used here to encompass both structural and compositional disorder. It includes structural deviations ranging from an ideal crystal with disordered arrangements of defects all the way to fully amorphous materials, as well as crystals with impurities up through multi-component random alloys. Both types of disorder affect phonons by breaking the symmetry of an idealized crystal and changing their character/mode shapes. These effects have important implications with regard to phonon–phonon interactions, phonon transport and phonon interactions with other quantum particles, which are being actively investigated. Herein, we synthesize the current theoretical understanding, identify the aspects of the problem that require more work, and pose open questions. Abbreviations: BTE: Boltzmann transport equation; DFT: Density functional theory; EPP: Eigenvector periodicity parameter; FAFDTR: Fiber-aligned frequency domain thermoreflectance; GK: Green–Kubo; GKMA: Green–Kubo modal analysis; HCACF: Heat current autocorrelation function; IXS: Inelastic X-ray scattering; LD: Lattice dynamics; LJ: Lennard–Jones; MD: Molecular dynamics; MFP: Mean free path; NEMD: Non-equilibrium molecular dynamics; NMD: Normal-mode dynamics; PDL: Propagon, diffuson, locon; PGM: Phonon gas model; PR: Participation ratio; SCLD: Supercell lattice dynamics; SED: Spectral energy density; TDTR: Time-domain thermoreflectance; VCA: Virtual crystal approximation;

中文翻译:

无序材料中的热传递

摘要 我们回顾了无序材料中热/声子传输的研究现状。此处使用的术语无序材料包括结构无序和成分无序。它包括结构偏差,从具有无序缺陷排列的理想晶体一直到完全非晶材料,以及带有杂质的晶体直至多组分随机合金。两种类型的无序都会通过破坏理想化晶体的对称性并改变其特征/模式形状来影响声子。这些效应对声子-声子相互作用、声子传输和声子与其他量子粒子的相互作用具有重要意义,这些正在被积极研究。在此,我们综合目前的理论理解,确定需要更多工作的问题方面,并提出开放性问题。缩写: BTE:玻尔兹曼传输方程;DFT:密度泛函理论;EPP:特征向量周期性参数;FAFDTR:光纤对准频域热反射率;GK:格林-久保;GKMA:Green-Kubo 模态分析;HCACF:热流自相关函数;IXS:非弹性 X 射线散射;LD:晶格动力学;LJ:伦纳德-琼斯;MD:分子动力学;MFP:平均自由程;NEMD:非平衡分子动力学;NMD:正常模式动态;PDL:传播、扩散、位置;PGM:声子气体模型;PR:参与率;SCLD:超胞晶格动力学;SED:光谱能量密度;TDTR:时域热反射率;VCA:虚拟晶体近似;密度泛函理论; EPP:特征向量周期性参数;FAFDTR:光纤对准频域热反射率;GK:格林-久保;GKMA:Green-Kubo 模态分析;HCACF:热流自相关函数;IXS:非弹性 X 射线散射;LD:晶格动力学;LJ:伦纳德-琼斯;MD:分子动力学;MFP:平均自由程;NEMD:非平衡分子动力学;NMD:正常模式动态;PDL:传播、扩散、位置;PGM:声子气体模型;PR:参与率;SCLD:超胞晶格动力学;SED:光谱能量密度;TDTR:时域热反射率;VCA:虚拟晶体近似;密度泛函理论; EPP:特征向量周期性参数;FAFDTR:光纤对准频域热反射率;GK:格林-久保;GKMA:Green-Kubo 模态分析;HCACF:热流自相关函数;IXS:非弹性 X 射线散射;LD:晶格动力学;LJ:伦纳德-琼斯;MD:分子动力学;MFP:平均自由程;NEMD:非平衡分子动力学;NMD:正常模式动态;PDL:传播、扩散、位置;PGM:声子气体模型;PR:参与率;SCLD:超胞晶格动力学;SED:光谱能量密度;TDTR:时域热反射率;VCA:虚拟晶体近似;非弹性 X 射线散射;LD:晶格动力学;LJ:伦纳德-琼斯;MD:分子动力学;MFP:平均自由程;NEMD:非平衡分子动力学;NMD:正常模式动态;PDL:传播、扩散、位置;PGM:声子气体模型;PR:参与率;SCLD:超胞晶格动力学;SED:光谱能量密度;TDTR:时域热反射率;VCA:虚拟晶体近似;非弹性 X 射线散射;LD:晶格动力学;LJ:伦纳德-琼斯;MD:分子动力学;MFP:平均自由程;NEMD:非平衡分子动力学;NMD:正常模式动态;PDL:传播、扩散、位置;PGM:声子气体模型;PR:参与率;SCLD:超胞晶格动力学;SED:光谱能量密度;TDTR:时域热反射率;VCA:虚拟晶体近似;
更新日期:2018-12-16
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