Spectral Phonon Transport Properties of Silicon Based on Molecular Dynamics Simulations and Lattice Dynamics

The Physics of Phonons

Srivastava, G. P., & Kresin, V. Z. (1991) · Physics Today · doi:10.1063/1.2810367 · Cited by 538

Revisiting thermal transport in ThO2 using higher-order thermal transport physics

Virakante, N., & Jain, A. (2025) · Computational Materials Science · doi:10.1016/j.commatsci.2025.113882 · Cited by 3

Thermo-Mechanical Properties of Cis-1,4-Polyisoprene: Influence of Temperature and Strain Rate on Mechanical Properties by Molecular Dynamic Simulations

Alamfard, T., & Breitkopf, C. (2025) · Polymers · doi:10.3390/polym17091179 · Cited by 3

Correlation of shear forces and heat conductance in nanoscale junctions

Robinson, B. J., Pumarol, M., & Kolosov, O. (2019) · Physical review. B./Physical review. B · doi:10.1103/physrevb.100.235426 · Cited by 3

Phonon relaxation times of germanium determined by molecular dynamics at 1000 K

Goicochea, J. V., & Michel, B. (2010) · Annual IEEE Semiconductor Thermal Measurement and Management Symposium/Proceedings · doi:10.1109/stherm.2010.5444279 · Cited by 3

Prediction and Measurement of Thermal Transport Across Interfaces Between Isotropic Solids and Graphitic Materials

Norris, P. M., Smoyer, J. L., Duda, J. C., & Hopkins, P. E. (2010) · ASME 2012 10th International Conference on Nanochannels, Microchannels, and Minichannels collocated with the ASME 2012 Heat Transfer Summer Conference and the ASME 2012 Fluids Engineering Division Summer Meeting · doi:10.1115/fedsm-icnmm2010-30171 · Cited by 3

A New Formalism for Calculating Modal Contributions to Thermal Interface Conductance from Molecular Dynamics SimulationsPreprint

Gordiz, K., & Henry, A. S. (2014) · arXiv (Cornell University) · doi:10.48550/arxiv.1407.6410 · Cited by 3

Size- and structure-dependence of thermal and mechanical behaviors of single-crystalline and polytypic superlattice ZnS nanowires

Moon, J., Cho, M., & Zhou, M. (2015) · Journal of Applied Physics · doi:10.1063/1.4921974 · Cited by 2

Evidence of ballistic thermal transport in lithium niobate at room temperature

Pulavarthy, R., & Haque, A. (2016) · International Communications in Heat and Mass Transfer · doi:10.1016/j.icheatmasstransfer.2016.12.008 · Cited by 2

EXPLORING THERMAL TRANSPORT IN ELECTROCHEMICAL ENERGY STORAGE SYSTEMS UTILIZING TWO-DIMENSIONAL MATERIALS: PROSPECTS AND HURDLES

Datta, D., & Lee, E. S. (2023) · Annual Reviews of Heat Transfer · doi:10.1615/annualrevheattransfer.2023049365 · Cited by 2

Thermal transport phenomena beyond the diffusive regime

Chapuis, P., Nghiêm, T. T. T., Cruz, C., & Nefzaoui, E. (2016) · International Conference Mixed Design of Integrated Circuits and Systems · doi:10.1109/mixdes.2016.7529695 · Cited by 2

Phonon transport across multi-layered structure subjected to laser short irradiation pulse

Ali, H., & Yilbaş, B. S. (2016) · Optical and Quantum Electronics · doi:10.1007/s11082-016-0840-3 · Cited by 2

Frequency-Dependent Monte Carlo Simulations of Phonon Transport in Nanostructures

Hao, Q., & Che, G. (2011) · InTech eBooks · doi:10.5772/15475 · Cited by 2

Ballistic heat transport and associated frequency dependence of thermal conductivity in semiconductor alloys

Vermeersch, B., Pernot, G., Koh, Y., Abumov, P., & Shakouri, A. (2012) · I-THERM :/I-THERM - Intersociety Conference on Thermal Phenomena in Electronic Systems · doi:10.1109/itherm.2012.6231462 · Cited by 2

Study on Lattice Thermal Conductivity of Silicon Thin Film with Aligned Nano-pores

Liang, Q., He, Y., Zhou, Y., & Xie, T. (2017) · Energy Procedia · doi:10.1016/j.egypro.2017.03.981 · Cited by 2

Nanostructured thermoelectric materials

Masood, K. B., Jain, N., Kumar, P., Malik, M. A., & Singh, J. N. (2021) · Elsevier eBooks · doi:10.1016/b978-0-12-819984-8.00005-9 · Cited by 2

Theoretical Assessment of Impacts of Energy Band Valley Occupation on Diffusion Coefficient of Nano-Scale Ge Wires

Ōmura, Y. (2022) · ECS Journal of Solid State Science and Technology · doi:10.1149/2162-8777/ac557a · Cited by 2

Phonon heat transport properties of graphene based on molecular dynamics simulations and lattice dynamics

Hui, Z., & Chang, Y. (2019) · International Journal of Modern Physics B · doi:10.1142/s0217979219500206 · Cited by 2

Finite-size effect of the thermal conductivity in one dimensional chain

Wei, T., Li, Y., Cheng, J.-X., & Jia, C. (2019) · New Journal of Physics · doi:10.1088/1367-2630/ab5627 · Cited by 2

SrTiO3 Nanokubus: Sintesis, Kontrol Morfologi dan Sifat Termoelektrik (Tinjauan)

Putri, Y. E. (2021) · Akta Kimia Indonesia · doi:10.12962/j25493736.v6i1.9167 · Cited by 2

Are solution processed CsPbI3 perovskite nanocrystalline films similar to traditional crystalline semiconductors?Preprint

Kobbekaduwa, K., Liu, E., Zhao, Q., Adhikari, P., Xie, C., Zhang, J., Shi, Y., Zheng, H., Li, D., Sanabria, H., et al. (2021) · Research Square · doi:10.21203/rs.3.rs-912920/v1 · Cited by 2

Efficient perturbation-tracking method for directly probing the spectral phonon properties from molecular dynamics simulations

Zheng, Z., Li, Y., Chen, X., & Chen, Y. (2020) · Physical review. E · doi:10.1103/physreve.102.053311 · Cited by 1

Parallel Computation of the Phonon Boltzmann Transport Equation for Simulation of Frequency Domain Thermo-reflectance (FDTR) Experiments

Tran, H. D., Saurav, S., Mazumder, S., Sadayappan, P., & Sundar, H. (2025) · SIAM Journal on Scientific Computing · doi:10.1137/24m1664186 · Cited by 1

Analysis of Quasi-Ballistic Phonon Transport Based on Transient Thermal Grating and the Boltzmann Transport Equation

He, Y., Li, T., Zhu, R., Zhou, S., Cai, Y., Chen, R., Chen, Z., & Guo, L. (2025) · Advanced Devices & Instrumentation · doi:10.34133/adi.0093 · Cited by 1

Combined Kinetic Monte Carlo—Molecular Dynamics Approach for Modeling Phonon Transport in Quantum Dot Superlattices

Zuckerman, N., & Lukes, J. R. (2013) · ASME Journal of Heat and Mass Transfer · doi:10.1115/1.4024909 · Cited by 1

New Phonon Dynamics in a Diamond Crystal during Post-Annealing

NAKAGAWA, S. T. (2013) · Journal of Materials Science Research · doi:10.5539/jmsr.v2n2p71 · Cited by 1

The rmal Transport in Semiconductors and Metals from First-Principles

Jain, A. (2015) · Cited by 1

Thermal Conductivity of Nano-porous Bi0.4Te3.0Sb1.6

Tanaka, S., Takashiri, M., & Miyazaki, K. (2014) · Netsu Bussei · doi:10.2963/jjtp.24.94 · Cited by 1

Calculation of Modal Contributions to Heat Transfer across Si/Ge Interfaces

Gordiz, K., & Henry, A. S. (2015) · MRS Proceedings · doi:10.1557/opl.2015.698 · Cited by 1

Molecular dynamics study of relaxons in the Fermi-Pasta-Ulam- β model

Gill-Comeau, M., & Lewis, L. J. (2018) · Physical review. B./Physical review. B · doi:10.1103/physrevb.97.245413 · Cited by 1

Exact diagonal representation of normal mode energy, occupation number, and heat current for phonon-dominated thermal transport

Raj, A., & Eapen, J. (2019) · The Journal of Chemical Physics · doi:10.1063/1.5099936 · Cited by 1

Thermal decay in the one-dimensional transient thermal grating experiment using modified Debye-Callaway model

Ezzahri, Y. (2022) · Physical review. B./Physical review. B · doi:10.1103/physrevb.106.125203 · Cited by 1

Reflections on My Research in Heat and Energy

Chen, G. (2024) · ASME Journal of Heat and Mass Transfer · doi:10.1115/1.4066899 · Cited by 1

Molecular Dynamics Simulations on Heat Conduction in Nano-Porous Si(Thermal Engineering)

NAGAI, D., Miyazaki, K., & Tsukamoto, H. (2010) · TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series B · doi:10.1299/kikaib.76.771_1879 · Cited by 1

An efficient solution procedure for simulating phonon transport in multiscale multimaterial systems

Loy, J. M. (2013) · Texas ScholarWorks (Texas Digital Library) · Cited by 1

Electronic structure, lattice dynamics and thermoelectric properties of silicon nanosphere-nanoribbon layered structure from first-principles calculation

Lu, P., & Xia, Y. (2017) · Physica B Condensed Matter · doi:10.1016/j.physb.2017.02.029 · Cited by 1

Thermal Transport in Nanostructured Polymers

Líu, J. (2013) · CU Scholar (University of Colorado Boulder) · Cited by 1

Predicting phonon transport in two-dimensional materials

Leal, D. S., & Manuel, C. (2016) · Cited by 1

Predicting phonon transport in semiconductor nanostructures using atomistic calculations and the Boltzmann transport equation

Sellan, D. P. (2012) · TSpace (University of Toronto) · Cited by 1

Silicon for Thermoelectric Energy Harvesting Applications

Narducci, D., Belsito, L., & Morata, À. (2017) · Advanced micro & nanosystems · doi:10.1002/9783527698110.ch4 · Cited by 1

Phonon Transport at Boundaries and Interfaces in Two-Dimensional Materials

Foss, C. J. (2021) · ScholarWorks@UMassAmherst (University of Massachusetts Amherst) · doi:10.7275/12767285 · Cited by 1

Effect of phonon dispersion on thermal conduction across Si/Ge interfacesPreprint

Singh, D., Murthy, J. Y., & Fisher, T. S. (2010) · arXiv (Cornell University) · doi:10.48550/arxiv.1005.2578 · Cited by 1

Effective thermoelectric performance in silicon by defect engineering

Wight, N. M. (2019) · Cited by 1

Modal analysis of heat transfer across crystalline Si and amorphous SiO2 interfacePreprint

Gordiz, K., Muraleedharan, M. G., & Henry, A. S. (2018) · arXiv (Cornell University) · doi:10.48550/arxiv.1807.06633 · Cited by 1

Laser Sintering of Si-Ge Nanoparticles for Thermoelectric Materials

Baldridge, T. (2012) · doi:10.18130/v3s22w · Cited by 1

Predicting Coupled Electron and Phonon Transport Using Steepest-Entropy-Ascent Quantum ThermodynamicsPreprint

Worden, J., von Spakovsky, M. R., & Hin, C. (2023) · SSRN Electronic Journal · doi:10.2139/ssrn.4621161 · Cited by 1

First Principles Modeling of Phonon Heat Conduction in Nanoscale Crystalline Structures

USDOE Office of Science (SC), Mazumder, S., & Li, J. (2010) · doi:10.2172/984336

Measurements of thermal conductivity of La0.95Sr0.05CoO3nanofibers using MEMS devices

Xu, W., Hadim, H. A., Chu, Y. S., Shi, Y., & Nazaretski, E. (2014) · Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE · doi:10.1117/12.2054464

Design and assembly of nanostructured complex metal oxide materials for the construction of batteries and thermoelectric devices

Yadav, G. G. (2013) · Purdue e-Pubs (Purdue University System)

Heat Transfer at Intersects

Chen, G. (2014) · IEEE Transactions on Software Engineering · doi:10.11368/tse.22.59

Vibrational lifetimes of hydrated phospholipids

Jadidi, T., Anvari, M., Mashaghi, A., Sahimi, M., & Tabar, M. R. R. (2013) · Europhysics Letters (EPL) · doi:10.1209/0295-5075/102/28008

Molecular dynamics simulation on LO phonon mode decay in Si nano-structure covered with oxide films

Zushi, T., Ohdomari, I., Watanabe, T., Kamakura, Y., & Taniguchi, K. (2010) · International Conference on Simulation of Semiconductor Processes and Devices · doi:10.1109/sispad.2010.5604568

Thermal Transport Across Carbon Nanotube Connected by Molecular Linkers

Líu, J., Alhashme, M., & Yang, R. (2011) · doi:10.1115/imece2011-64931

Onset of size effects in lattice thermal conductivity and lifetime of low-frequency thermal phonons

Maznev, A. A. (2012) · MRS Proceedings · doi:10.1557/opl.2012.269

Simulation of Sub-Micron Thermal Transport in a MOSFET Using a Hybrid Fourier-BTE Model

Loy, J. M., Singh, D., & Murthy, J. Y. (2010) · International Heat Transfer Conference (IHTC) · doi:10.1115/ihtc14-23100

Beautiful Vibrations - Understand Phonons for Heat Transfer

Hao, Q. (2012) · Journal of Aeronautics & Aerospace Engineering · doi:10.4172/jaae.1000e102

How Can We Monitor the Recovery of a Damaged Crystal by the Post Annealing?

NAKAGAWA, S. T., Murakami, T., Nomura, M., Kanda, H., Sukedai, E., & Whitlow, H. J. (2014) · IEEJ Transactions on Electronics Information and Systems · doi:10.1541/ieejeiss.134.479

First-principles Calculation of Silicon Nanowire

Lu, P., & Wang, X. (2015) · Annual International Conference on Advanced Material Engineering (AME) · doi:10.1142/9789814696029_0001

Continuum-atomistic Algorithms for Dendritic Formation

Herschlag, G. (2019) · Carolina Digital Repository (University of North Carolina at Chapel Hill) · doi:10.17615/f1r4-e250

Thermomechanical Modelling for Phonon Transport and Damping Analysis of Silicon Nano-Structure

Yu, Y. (2016) · TigerPrints (Clemson University)

Thermoelectric transport calculation of Si nanoclusters with different geometric shapes

Lu, P., Lu, M., Kong, C. Y., Zhang, M., & Zhao, Z. (2017) · Micro & Nano Letters · doi:10.1049/mnl.2017.0446

Enhancing thermoelectric performance of graphene through nanostructuring

Hossain, M. S. (2017) · Minerva Access (University of Melbourne)

Thermal Disturbance of Thin Films Pair: Cross-Plane Thermal Energy Transfer

Ali, H., & Yilbaş, B. S. (2018) · Journal of Computational and Theoretical Transport · doi:10.1080/23324309.2018.1505638

Self‐Assembled Nanostructured Bulk Si as High‐Performance TE Materials

Xie, J., Ohishi, Y., Kurosaki, K., Kurosaki, K., & Kurosaki, K. (2019) · doi:10.1002/9781119407348.ch2

Investigation of Thermal Metamaterials based on Nanoporous Silicon Using Ray Tracing and Finite Element Simulations

Yu, Z., Ren, Z., & Lee, J. (2019) · I-THERM :/I-THERM - Intersociety Conference on Thermal Phenomena in Electronic Systems · doi:10.1109/itherm.2019.8757250

Non-classical thermal transport and phase change at the nanoscale

Calvo-Schwarzwälder, M. (2019) · doi:10.5821/dissertation-2117-166463

Molecular dynamics studies of phase transition of n-alkanes mixtures, coupling-decoupling mechanism affecting thermal interfacial conductance of n-alkanes and Fokker-Planck theory of lattice thermal conductivity of crystalline solids

Zeng, Y. D. (2019)

Characteristics of quasi-ballistic heat conduction in a multiple materials system based on the solution of the Boltzmann transport equation

Chen, J., & Pang, Z. (2021) · The European Physical Journal Plus · doi:10.1140/epjp/s13360-021-01281-7

Thermal conductivity of two-dimensional group IV-element thermocrystals

Xu, K., Umar, A., & Jiang, C. (2021) · Case Studies in Thermal Engineering · doi:10.1016/j.csite.2021.101626

Phonon Transport and Heat Flow

(2017) · Advances in computer and electrical engineering book series · doi:10.4018/978-1-5225-2312-3.ch007

Advanced topics

Sousa, J. B., Ventura, J. O., & Pereira, A. D. A. (2021) · Elsevier eBooks · doi:10.1016/b978-0-323-46097-2.00013-6

Phonon Transport in Si Nanostructures

Tsuchiya, H., & Kamakura, Y. (2016) · doi:10.1002/9781118871737.ch4

Electron and Phonon Transport Simulation for Quantum Hybrid System

Mori, N., & Mil’nikov, G. (2022) · Quantum science and technology · doi:10.1007/978-981-19-1201-6_5

Coherent Phonon Transport

Zhmakin, A. I. (2023) · Springer eBooks · doi:10.1007/978-3-031-25973-9_18

Anisotropic Fourier Heat Conduction and Phonon Boltzmann Transport Equation Based Simulation of Time Domain Thermo-Reflectance ExperimentsPreprint

Mazumder, S., & Saurav, S. (2024) · SSRN Electronic Journal · doi:10.2139/ssrn.4693656

Investigation of anisotropy in the collective dynamics and thermal diffusivity in the phenyl pyrimidine liquid crystal

Ryu, M., Kurose, S.-H., Yoshida, K., Uchiyama, H., & Morikawa, J. (2025) · Physical review. E · doi:10.1103/physreve.111.015432

A Voyage Intersecting Nano, Heat, and Energy: Professor Gang Chen’s Scientific Contributions

Cooper, T., Gao, J., Lee, S., Liao, B., Liu, W., Lorenzi, B., Luo, T., Miljkovic, N., Reddy, P., Shen, S., et al. (2025) · ASME Journal of Heat and Mass Transfer · doi:10.1115/1.4067820

Multi-phase and multi-scale wear modeling using phonon, quantum chemical molecular dynamics and machine learningPreprint

Zhang, C. (2025) · SSRN Electronic Journal · doi:10.2139/ssrn.5990405

Engineering Ultrahigh Thermal Conductivity in Buckling Structure by Activating Lone Pair Electrons

Qin, H., Zhang, Y., Lin, J., Wei, D., Xu, J., Zhang, Y., & Qin, G. (2026) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5c03629

Nanostructured metal–oxide thermoelectric materials

Masood, K. B., & Mohamed, A. A. (2024) · Elsevier eBooks · doi:10.1016/b978-0-443-19187-9.00010-9

On-Chip Strained Germanium Lasers: A Review

Liu, R., Song, W., & Zheng, Z.-W. (2026) · Nanomaterials · doi:10.3390/nano16060356

Numerical study of electro-thermal effects in silicon devices

Nghiêm, T. T. T. (2013) · theses.fr (ABES) · doi:10.70675/ef347b71z6da1z4508za03fzf14836d4d947 · Cited by 2

Fabrication and thermal conductivity characterization of phononic engineered silicon membranes for thermoelectric applications

Lacatena, V. (2016) · doi:10.70675/4c15437az6a4fz4af4za797zd1aa580baaec

Prediction of thermal conductivity and strategies for heat transport reduction in bismuth : an ab initio study .

Markov, M. (2016) · doi:10.70675/70c8f664z1405z427fz838ezfcdb8ba83a08

Conduction thermique à la nanoéchelle dans le silicium : simulations par dynamique moléculaire d’approche à l’équilibre

Zaoui, H. (2017) · doi:10.70675/ac754d48zd8d8z4f2cza711z71f031010312

Investigations expérimentales du transport thermique et électronique dans des nanofils hétérostructurés 3C/2H

Amor, A. B. (2021) · theses.fr (ABES) · doi:10.70675/0ec0190ez29faz47c3za7bez2c5cbd6ab826

Thermal properties of solid-liquid nanocomposites

Wang, X. (2022) · doi:10.70675/5042d57fza6a7z4aaazb62ez0542490c963c

Monte Carlo simulations of phonon transport in nanostructures based on ab-initio methods

Park, J.-B. (2024) · theses.fr (ABES) · doi:10.70675/26d9a907z80fcz413cza616z47571ae4860b

Thermal transport in defective uranium nitride: Effects of point defects, anharmonicity, and electronic contributions

Chen, B., Khafizov, M., Hua, Z., Hurley, D. H., & Jin, M. (2026) · Journal of Applied Physics · doi:10.1063/5.0344135

Studying Heat Conduction Properties by Using Machine Learning Potentials: a Brief Review

秦, Y. 杨. Q., Zong, Z., 李, T. 天. L., Fang, H., 朱, G. 桂. Z., Jiang, J., & Yang, N. (2026) · Chinese Physics Letters · doi:10.1088/0256-307x/43/8/080802

Vibrational-entropy-driven suppression of deep defects in anharmonic halide perovskites

Wu, Q., Zhou, J., Wen, M., Dong, H., Huang, L., & Deng, H.-X. (2026) · Physical review. B./Physical review. B · doi:10.1103/p5sg-yjdm

Interfacial thermal transport spectroscopy: a review of theory and experiment

Xu, Y., Xiang, X., Liu, W., Zhu, Y., Hu, Y., Li, M., Ma, H., Cao, B., & Zhou, Y. (2026) · Physical Chemistry Chemical Physics · doi:10.1039/d6cp02619b

Mode-Dependent Phonon Transport Analysis of Silicon Crystal by Molecular Dynamics Method

Hori, T., Shiga, T., Maruyama, S., & Shiomi, J. (2012) · TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series B · doi:10.1299/kikaib.78.328 · Cited by 4

MP-3 Phonon transport analysis of silicon crystal by molecular dynamics method

Hori, T., Shiga, T., Maruyama, S., & Shiomi, J. (2011) · The Proceedings of the Symposium on Micro-Nano Science and Technology · doi:10.1299/jsmemnm.2011.3.73

Monte Carlo simulation of phonon transport in silicon including a realistic dispersion relation

Kukita, K., & Kamakura, Y. (2013) · Journal of Applied Physics · doi:10.1063/1.4826367 · Cited by 38

Molecular dynamics analysis of spectral characteristics of phonon heat conduction in silicon

Henry, A. S. (2006) · DSpace@MIT (Massachusetts Institute of Technology)

Molecular Dynamics Study on Phonon Dynamics in Single-Crystal Silicon and Argon

Xiao, P., Matsumoto, M., & Kunisawa, T. (2007) · ASME Heat Transfer Summer Conference (HT) · doi:10.1115/ht2007-32661 · Cited by 1