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While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…

材料科学 · 物理学 2015-10-20 Tian Lan

In the regime of strong nonlinearity, the validity of conventional perturbation based phonon transport theories is questionable. In particular, the renormalized phonons instead of phonons are responsible for heat transport in nonlinear…

统计力学 · 物理学 2015-10-13 Nianbei Li , Junjie Liu , Changqin Wu , Baowen Li

Anharmonic lattice vibrations play a key role in many physical phenomena. They govern the heat conductivity of solids, strongly affect the phonon spectra, play a prominent role in soft mode phase transitions, allow ultrafast engineering of…

材料科学 · 物理学 2026-02-12 Gili Scharf , Tomer Hasharoni , Lara Donval , Leah Ben Gur , Alon Ron

We propose a variational approach to study renormalized phonons in momentum conserving nonlinear lattices with either symmetric or asymmetric potentials. To investigate the influence of pressure to phonon properties, we derive an inequality…

统计力学 · 物理学 2015-06-25 Junjie Liu , Sha Liu , Nianbei Li , Baowen Li , Changqin Wu

On the basis of the self-consistent phonon theory and the special displacement method, we develop an approach for the treatment of anharmonicity in solids. We show that this approach enables the efficient calculation of…

材料科学 · 物理学 2023-08-09 Marios Zacharias , George Volonakis , Feliciano Giustino , Jacky Even

Knowledge of lattice anharmonicity is essential to elucidate distinctive thermal properties in crystalline solids. Yet, accurate \textit{ab initio} investigations of lattice anharmonicity encounter difficulties owing to the cumbersome…

材料科学 · 物理学 2022-04-13 Zhen Zhang , Dong-Bo Zhang , Tao Sun , Renata M. Wentzcovitch

The propagation of nonlinear waves in a lattice of repelling particles is studied theoretically and experimentally. A simple experimental setup is proposed, consisting in an array of coupled magnetic dipoles. By driving harmonically the…

We examine the temperature dependence of thermal conductivity of one dimensional nonlinear (anharmonic) lattices with and without on-site potential. It is found from computer simulation that the heat conductivity depends on temperature via…

无序系统与神经网络 · 物理学 2007-05-23 Nianbei Li , Baowen Li

Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…

材料科学 · 物理学 2021-12-30 Bin Wei , Qiyang Sun , Chen Li , Jiawang Hong

We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory and temperature-dependent phonon frequencies can be…

材料科学 · 物理学 2018-01-29 Terumasa Tadano , Shinji Tsuneyuki

A previously proposed variational approach for momentum-conserving systems [J. Liu et.al., Phys. Rev. E 91, 042910 (2015)] is extended to systematically investigate general momentum-nonconserving nonlinear lattices. Two intrinsic identities…

统计力学 · 物理学 2016-09-20 Junjie Liu , Baowen Li , Changqin Wu

We study heat conduction in one dimensional (1D) anharmonic lattices analytically and numerically by using an effective phonon theory. It is found that every effective phonon mode oscillates quasi-periodically. By weighting the power…

统计力学 · 物理学 2009-11-11 Nianbei Li , Peiqing Tong , Baowen Li

Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…

材料科学 · 物理学 2026-01-15 Huiju Lee , Zhi Li , Jiangang he , Yi Xia

Phonon coherence elucidates the propagation and interaction of phonon quantum states within superlattice, unveiling the wave-like nature and collective behaviors of phonons. Taking MoSe$_2$/WSe$_2$ lateral heterostructures as a model…

材料科学 · 物理学 2025-03-11 Xin Wu , Zhang Wu , Ting Liang , Zheyong Fan , Jianbin Xu , Masahiro Nomura , Penghua Ying

Nonlinear phononics is the phenomenon in which a coherent dynamics in a material along a set of phonons is launched after its infrared-active phonons are selectively excited using external light pulses. The microscopic mechanism underlying…

材料科学 · 物理学 2023-08-23 Alaska Subedi

Heat transport in low-dimensional systems has attracted enormous attention from both theoretical and experimental aspects due to its significance to the perception of fundamental energy transport theory and its potential applications in the…

混沌动力学 · 物理学 2013-01-04 Nianbei Li , Baowen Li

We calculate the lattice dielectric function of strongly anharmonic rutile $\mathrm{TiO}_2$ from ab initio anharmonic lattice dynamics methods. Since an accurate calculation of the $\Gamma$ point phonons is essential for determining optical…

材料科学 · 物理学 2023-03-24 Tomohito Amano , Tamio Yamazaki , Ryosuke Akashi , Terumasa Tadano , Shinji Tsuneyuki

Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly…

材料科学 · 物理学 2017-12-06 Xiang Chen , Adrian Diaz , Liming Xiong , David L. McDowell , Youping Chen

Amplification of light through stimulated emission or nonlinear optical interactions has had a transformative impact on modern science and technology. The amplification of other bosonic excitations, like phonons in solids, is likely to open…

The breakdown of Hooke's law marks the onset of nonlinear behaviour: when displacements become large, restoring forces weaken and conventional proportionality fails. In quantum materials, intense optical excitation can drive the crystal…

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