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Microscale Thermophysics Engineering Laboratory

Publications (#: equal contribution; *: corresponding author)
 The full publication list can be also found in my google scholar.



69, Haoyu Dong, Zhiqiang Li, Baole Sun, Yanguang Zhou, Linhua Liu and Jia-Yue Yang*, Thermal Transport in Disordered Wurtzite ScAlN Alloys using Machine Learning Interatomic Potentials.

Mater. Today Commnu. 39, 109213 (2024). Paper link.
68, Guang Wang#, Hongzhao Fan#, Zhongwei Chen, Yufei Gao, Zuankai Wang, Zhigang Li, Haipeng Lu* and Yanguang Zhou*, Tuning the Thermal Conductivity of Hybrid Perovskites through Alloying.

Adv. Sci. 00, 01194 (2024). Paper link.
67, Biyuan Liu, Shaobin Zhuo, Lirong Li, Yanguang Zhou* and Zhigang Li*, Molecular Dynamics Simulations of Li+/Mg2+ Separation Using Metal-Organic Frameworks.

J. Membr. Sci. 702, 122759 (2024). Paper link.

66, Le Zhou, Dachuang Shi, Chengxin Gong, Yanguang Zhou, Jingsong Chen* and Zhigang Li*, Enhancing Ion Transport in Pressure-driven Nanofluidic Systems for Energy Harvesting.
Phys. Fluid, 36, 042012 (2024). Paper link.

65, Patrick Ryan Galligan, Hongwei Liu, Guang Wang, Mohsen Tamtaji, Yaxuan Li, Tsz Wing Tang, Yanguang Zhou, Zhengtang Luo*, Lightweight, Freestanding Hybrids of Graphene and Hexagonal Boron Nitride Foams.
Compos. - A: Appl. Sci. 182, 108176 (2024). Paper link.

64, Xing Xiang, Hang Fan and Yanguang Zhou*, The Lattice Thermal Conductivity of Hafnia: The Influence of High-order Scatterings and Phonon Coherence.
J. Appl. Phys. 135, 125102 (2024). Paper link.

63, Guang Wang#, Hongzhao Fan#, Jiawang Li, Zhigang Li and Yanguang Zhou*, Direct Observation of Tunable Thermal Conductance at Solid/porous Crystalline Solid Interfaces Induced by Water Adsorbents.
Nat. Commun. 15, 2304 (2024). Paper link.

62, Yufei Gao*, Zhengyi Zhang, Xiaoliang Zhang*, Yanguang Zhou* and Dawei Tang*, Dual Substrate Effect of Silicon Substrate on Thermal Transport Characteristic of (14,14,14)-Graphyne: Transformation from Conventional Suppressing Role to Abnormal Promoting Role.
Physica Status Solidi (RRL) (2024). Paper link. 

61, Hongzhao Fan, Penghua Ying, Zheyong Fan, Yue Chen, Zhigang Li and Yanguang Zhou*, Anomalous Strain-Dependent Thermal Conductivity in HKUST-1. 
Phys. Rev. B 129, 045424 (2024). Paper link.
60, Renjiu Hu#, Hongzhao Fan#, Yanguang Zhou, Kan Tao, Zhiting Tian, Hao Ma*, Electrostatic Interactions Dominate Thermal Conductivity and Anisotropy in Three-dimensional Hydrogen-bonded Organic Frameworks. 
Int. J. Heat Mass Transf. 221, 125071 (2024). Paper link. 

, Yixin Xu, Fei Duan, Zhigang Li and Yanguang Zhou*, Surface Functionalization Enabling Highly Effective Phase-change Heat Transfer of R1234yf: A Molecular Dynamics Study. 
Appl. Therm. Eng. 240, 122275 (2024). Paper link. 
58, Feiyao Yang, Puguang Peng, Zhao-Yi Yan, Hongzhao Fan, Xiang Li, Shaoxin Li, Houfang Liu, Tian-Ling Ren, Yanguang Zhou, Zhonglin Wang*, Di Wei*, Vertical Iontronic Energy Storage Based on Osmotic Effects and Electrode Redox Reactions. 
Nat. Energy xxx, xxx (2024). Paper link.


57, Biyuan Liu, Le Zhou, Yixiang Wang, Shaobin Zhuo, Yanguang Zhou, Jinglei Yang, Zhigang Li*, Diffusion of LiCl Electrolytes in 3D-nanoporous Graphene Structures.
J. Appl. Phys. 134, 144701 (2023). Paper link.

56, Patrick Ryan Galligan#, Yixin Xu#, Wingtze Tang, Hongwei Liu, Mohsen Tamtaji, Yanguang Zhou*, and Zhengtang Luo*, Aligned Carbon-Doping to Modulate Thermal and Electrical Conductivity of Boron Carbon Nitride Grown from Chemical Vapor Deposition. 

Carbon 25, 118397 (2023). Paper link.

55, Le Zhou, Dachang Shi, Shiji Lin, Yanguang Zhou and Zhigang Li*, Enhancing Ion Transport in Nanofluidic Systems through Counter-Charged Nanochannels. 

Phys. Fluids, 35, 092001 (2023). Editor's pick
Paper link.

54, Longyun Shen, Yuhao Wang, Jing Yu, Guodong Zhou, Jiapeng Liu, Mathew Robson, Yanguang Zhou*, Mohammed Effat* and Francesco Ciucci*, Strain Engineering of Antiperovskite Materials for Solid-State Li Batteries: A Computation-Guided Substitution Approach. 
J. Mater. Chem. A. 11, 18984 (2023).
Paper link.

53, Yufei Gao, Hongzhao Fan, Yanguang Zhou* and Ming Hu*, Competing Heat Carriers Leading to Distinctive Cation Concentration Dependent Thermal Conductivity of Amorphous Li x S (x = 0 ~ 2) Batteries. 
Adv. Funct. Mater. 33, 2214501 (2023). Paper link.

52, Yixin Xu and Yanguang Zhou*, Collaborative Mechanisms Boost the Nanoscale Boiling Heat Transfer at Functionalized Gold Surfaces. 

Int. J. Heat Mass Transf. 210, 124179 (2023). Paper link.

51, Xing Xiang, Sylvain Patinet, Sebastian Volz and Yanguang Zhou*, Quasilocalized Vibrational Modes as Efficient Heat Carriers in Glasses. 
Int. J. Heat Mass Transf. 210, 124150 (2023). Paper link. 

50, Yixin Xu, Hongzhao Fan and Yanguang Zhou*, Quantifying the Spectral Thermal Transport Properties in the Framework of Molecular Dynamics Simulations: A Comprehensive Review. 
Rare Met. 42, 3914 (20
23). Invited reviewPaper link. 

49, Yixin Xu, Hongzhao Fan, Zhigang Li and Yanguang Zhou*, Signatures of Anharmonic Phonon Transport in Ultrahigh Thermal Conductance across Atomically Sharp Metal/Semiconductor Interface. 
Int. J. Heat Mass Transf. 201, 123628 (2023). Paper link. 

48, Guang Wang, Li Yang, Huihe Qiu, He Yan and Yanguang Zhou*, High‐performance and Wide Relative Humidity Passive Evaporative Cooling Utilizing Atmospheric Water.
Droplet 02, e32 (2023)Front cover.  Paper link. 


47, Yixin Xu, Lina Yang* and Yanguang Zhou*, Interfacial Thermal Conductance Spectrum in Nonequilibrium Molecular Dynamics Simulations Considering Anharmonicity, Asymmetry and Quantum Effects.
Phys. Chem. Chem. Phys. 24, 24503 (2022)Paper link. 

46, Simin Wang, Hongzhao Fan, Zhe Zhang,  Liang Sun, Jiaru Chen, Nuo Yang, Yanguang Zhou*, Bin Li* and Liang Dai*, Resonant Phonon Modes Induced by Molecular Rotations in Alpha-pentaerythritol Crystals.
J Mater. Chem. C 10, 14431 (2022)Paper link. 

45, Hongzhao Fan, Can Yang and Yanguang Zhou*, Ultralong Mean Free Path Phonons in HKUST-1 and Their Scatterings with Water Adsorbates.

Phys. Rev. B. 106, 085417 (2022). Paper link. 

44, Biyuan Liu, Le Zhou, Shuang Luo, Yanguang Zhou, Jinglei Yang, Zhigang Li*, Diffusion Coefficient of Ions through Graphene Nanopores.
AIP Adv. 12, 085227 (2022)Paper link.

43, Weibing Hao, Zhongyu Shi, Zhao Han, Kai Zhou, Qi Liu, Qiming He, Xuanze Zhou, Chen Chen, Yanguang Zhou,  Xiaolong Zhao, Guangwei Xu, Shibing Long*, Elevated Barrier Height Originated from Electric Dipole Effect and Improved Breakdown Characteristics in PtOx/β-Ga2O3 Schottky Barrier Diodes.
J. Phys. D, 55, 304003 (2022)Paper link.

42, Guang Wang and Yanguang Zhou*, Thermal Management Modeling for β-Ga2O3-Highly Thermal Conductivity Substrates Heterostructures.
IEEE Trans. Compon. Packaging Manuf. Technol., 12, 638 (2022)Paper link.

41, Yanguang Zhou*, Yixin Xu, Yufei Gao and Sebastian Volz, Origin of the Glass-like Thermal Conductivity in ZIF-4 and ZIF-62.

Phys. Rev. Mater. 6, 015403 (2022). Paper link.

40, Yixin Xu, Guang Wang and Yanguang Zhou*, Broadly Manipulating the Interfacial Thermal Energy Transport across the Si/4H-SiC Interfaces via Nanopatterns.

Int. J. Heat Mass Transf. 187, 122499 (2022). Paper link.


39, Yijun Ge, Yanguang Zhou and Timothy S. Fisher*, Thermal Boundary Conductance across Co/Cu Interfaces with Spin-Lattice Interactions.
J. Appl. Phys. 130, 235108 (2021). Paper link.

38, Lina Yang*, Yi Jiang and Yanguang Zhou*, Quantitively Predicting the Modal Thermal Conductivity of Nanocrystalline Si by full-band Monte Carlo Simulations.

Phys. Rev. B, 104, 195303 (2021)Paper link.

37, Yanguang Zhou*, Baoling Huang and Bingyang Cao, Vibrational Modes with Long Mean Free Path and Large Volumetric Heat Capacity Drive Higher Thermal Conductivity in Amorphous Zeolitic Imidazolate Framework-4.

Mater. Today Phys. 21, 100516 (2021). Paper link.

36, Yandong Sun, Yanguang Zhou, Ramya Gurunathanb, Jin-Yu Zhang, Ming Hu, Wei Liu*, Ben Xu* and Jeffrey Snyder*, Phonon scattering in the complex strain field of a dislocation in PbTe. Featured in JMCC.
J. Mater. Chem. C 9, 8506 (2021)Paper link.

35, Yanguang Zhou*, Assessing the Quantum Effect in Classical Thermal Conductivity of Amorphous Silicon.

J. Appl. Phys. 129, 235104 (2021)Paper link.

34, Yanguang Zhou* and Sebastian Volz*, Thermal Transfer in Amorphous Superionic Li2S. 

Phys. Rev. B. 103, 224204 (2021). Paper link.

33, Yufei Gao*, Wenbo Ning, Xiaoliang Zhang*, Yizhi Liu*, Yanguang Zhou* and Dawei Tang*, The Effective Regulation of Nanotwinning on the Multichannel Thermal Transport in Hybrid Organic−Inorganic Halide Perovskite.

Nano Energy 82, 105747 (2021)Paper link. 

32, Daosheng Tang, Yuchao Hua, Yanguang Zhou and Bingyang Cao*, Thermal Conductivity Modeling of GaN Films.
Acta Phys. Sin. 74, 045101 (2021).
Editor's pickPaper link.

31, Yandong Sun*, Yanguang Zhou, Ming Hu, Jeffrey Snyder, Ben Xu and Wei Liu, Obtaining the Phonon Mean Free Path of Inhomogeneous Materials using Molecular Dynamics: Dislocation Core.

J. Appl. Phys. 129, 055103 (2021). Editor's pickPaper link.


30, Yanguang Zhou, Julien Tranchida*, Yijun Ge, Jayathi Y. Murthy* and Timothy S. Fisher*, Atomistic Simulations of Phonon and Magnon Thermal Transport in Magnetic Materials.
Phys. Rev. B. 101, 224303 (2020). Methodology paper: Green-Kubo equilibrium atomic and spin dynamics (GKEASD)Paper link.

29, Yandong Sun, Yanguang Zhou, Jian Han, Ming Hu, Ben Xu* and Wei Liu, Molecular Dynamics Simulations of The Effect of Dislocations on the Thermal Conductivity of Iron. 

J. Appl. Phys. 127, 045106 (2020). Paper link.

28, Zheng Bo, Chongyan Ying, Huachao Yang*, Shenghao Wu, Jinyuan Yang, Jing Kong, Shiling Yang, Yanguang Zhou, Jianhua Yan, Kefa Cen, Highly Thermo-Conductive Three-Dimensional Graphene Aqueous Medium.
Nano-Micro Lett. 12, 138 (2020)Paper link

Before joining HKUST


27, Yandong Sun, Yanguang Zhou, Jian Han, Wei Liu, Cewen Nan, Yuanhua Lin, Ming Hu and Ben Xu*, Strong phonon localization in PbTe with dislocations and large deviation to Matthiessen’s rule.
npj Comput. Mater. 5, 97 (2019)Paper link.


26, Yanguang Zhou*, Shiyun Xiong*, Xiaoliang Zhang, Sebastian Volz*, and Ming Hu*, Thermal Transport Crossover from Crystalline to Partial-crystalline Partial-liquid State.
Nat. Commun. 9, 4712 (2018). Highlight by Cailiaoren. Paper link. 

25, Yufei Gao#, Yanguang Zhou# and Ming Hu*, Enormous Suppression of Phonon Transport in Silicon Nanowires with Five-Fold Twin Boundary.
J. Mater. Chem. A 6, 18533 (2018). Paper link. 

24, Biyao Wu#, Yanguang Zhou# and Ming Hu*, Two Channels Thermal Transport in Ordered-Disordered Superionic Ag2Te and its Traditionally Contradictory Enhancement by Nanotwin Boundary.

J. Phys. Chem. Lett. 9, 5704 (2018). Paper link

23, Yanguang Zhou*, Jiayue Yang, Long Cheng, and Ming Hu*, Strong Anharmonic Phonon Scattering Induced Giant Reduction of Thermal Conductivity in PbTe Nanotwin Boundary.

Phys. Rev. B 97, 085304 (2018). Paper link.

22, Yufei Gao, Yanguang Zhou, Xiaojing Zhang and Ming Hu*, Extremely Low Thermal Conductivity of Polycrystalline Silicene.
J. Phys. Chem. C 122, 16 (2018)Paper link.

21, Yanguang Zhou, Zheyong Fan, Jiayue Yang, Guangzhao Qin, Tao Ouyang and Ming Hu*, Methodology Perspective of Computing Thermal Transport in Low-dimensional Materials and Nanostructures: the Old and the New.
ACS Omega 3, 3278 (2018)Paper link.


20, Yanguang Zhou, Xiaoliang Zhang and Ming Hu*, Nonmonotonic Diameter Dependence of Thermal Conductivity of Extremely Thin Si Nanowires: Competition between Hydrodynamic Phonon Flow and Boundary Scattering.
Nano Lett. 17, 1269 (2017). Paper link. 

19, Yan Han, Yanguang Zhou, Guangzhao Qin, Jinming Dong, Douglas S. Galvao and Ming Hu*, Anomalous Increase of the Lattice Thermal Conductivity of Auxetic Carbon Crystals under Tensile Strain.

Carbon 122, 374 (2017). Paper link. 

18, Yanguang Zhou*, Xiaojing Gong, Ben Xu and Ming Hu*, Decouple Electronic and Phononic Transport in Nanotwinned Structure: A New Strategy for Enhancing the Figure-of-merit of Thermoelectrics.

Nanoscale 9, 9987 (2017). Paper link. 

17, Yanguang Zhou*, Xiaojing Gong, Ben Xu and Ming Hu*, First-principles and Molecular Dynamics Study of Thermoelectric Transport Properties of N-type Silicon-based Superlattice-nanocrystalline Heterostructures. 

J. Appl. Phys. 122, 085105 (2017). Paper link.

16, Yanguang Zhou, and Ming Hu*, Full Quantification of Three-phonon Scattering Process at Interface from Non-Equilibrium Molecular Dynamics Simulation.

Phys. Rev. B 95, 115313 (2017). Methodology paper: Frequency-domain direct decomposed method (FDDDM) at interface Paper link.

15, Yufei Gao, Xiangliang Zhang, Yanguang Zhou, and Ming Hu*, Giant Reduction in Thermal Conductivity of Extended Type-I Silicon Clathrates and Prominent Thermal Eeffect of 6d Guest Wycko Positions.
J. Mater. Chem. C 5, 10578 (2017)Paper link

14, Yanguang Zhou*, and Ming Hu*, Mechanical Behaviors of Nanocrystalline Cu/SiC Nanocomposites: Atomistic Investigation.
Comput. Mater. Sci. 129, 129 (2017)Paper link


13, Yanguang Zhou and Ming Hu*, Record Low Thermal Conductivity of Polycrystalline Si Nanowire: Breaking the Casimir Limit by Severe Suppression of Propagons.
Nano Lett. 16, 6178 (2016). Highlight by Phys.orgHighlight by Cailiaoren, Paper link. 

12, Yanguang Zhou, Xiaoliang Zhang and Ming Hu*, Excellent Candidate for Largely Reducing Interfacial Thermal Resistance: Confined Mass Graded Interface.

Nanoscale 8, 1994 (2016). Paper link.

11, Yanguang Zhou, Yagang Yao, and Ming Hu*, Boundary Scattering Eeffects on Thermal Conductivity of Nanowires.
Semicon. Sci. Technol. 31, 74004 (2016)Paper link.

10, Yanguang Zhou, Yuli Chen, and Ming Hu*, Strong Surface Orientation Dependent Thermal Transport in Si Nanowires,.
Sci. Rep. 6, 24903 (2016)Paper link.

9, Yuli Chen*, Yong Ma, Shengtao Wang, Yanguang Zhou and Hao Liu, The Morphology of Graphene on a Non-developable Concave Substrate.

Appl. Phys. Lett. 108, 031905 (2016). Paper link.

8, Yanguang Zhou*, Weiwei Yang, Ming Hu* and Zhenyu Yang, The Typical Manners of Dynamic Crack Propagation Along
the Metal/ceramics Interfaces: A Molecular Dynamics Study.
Comput. Mater. Sci. 112, 27 (2016)Paper link.

7, Xiaoliang Zhang, Xiaojing Gong, Yanguang Zhou, and Ming Hu*, Full Tailoring Thermal Conductivity of AlNFilms by
Periodically Aligned Surface Nano-grooves.

Appl. Phys. Lett. 109, 133107 (2016). Paper link.


6, Jiang Shang, Yuli Chen, Yanguang Zhou, Luqi Liu et. al., Effect of Folded and Crumpled Morphologies of GrapheneOxide Platelets on the Mechanical Performances of Polymer Nanocomposites.
Polymer 68, 131 (2015)Paper link.

5, Yanguang Zhou, Yuli Chen*, Bin Liu, Shengtao Wang, Zhenyu Yang and Ming Hu, Mechanics of Nanoscale Wrinkling of Graphene on a Non-developable Spherical Surface.

Carbon 84, 263 (2015). Paper link. 

4, Yanguang Zhou and Ming Hu*, Quantitatively Analyzing Phonon Spectral Contribution of Thermal Conductivity Based on Non-equilibrium Molecular Dynamics Simulation II: From Time Fourier Transform.

Phys. Rev. B 92, 195205 (2015). Methodology paper: Frequency domain direct decomposed method (FDDDM) Paper link.

3, Yanguang Zhou#, Xiaoliang Zhang# and Ming Hu*, Quantitatively Analyzing Phonon Spectral Contribution of Thermal Conductivity Based on Non-equilibrium Molecular Dynamics Simulation I: From Space Fourier Transform.

Phys. Rev. B 92, 195204 (2015). Methodology paper: Time-domain direct decomposed method (TDDDM) Paper link.


2, Yanguang Zhou, Zhenyu Yang*, and Zixin Lu, Dynamic Crack Propagation in Copper Bicrystals Grain Boundary by Atomistic Simulation,
Mater. Sci. Eng. A 599, 116 (2014)Paper link.

1, Zhenyu Yang*, Yanguang Zhou, Tao Wang, Qiang Liu, and Zixin Lu, Crack Propagation Behaviors at Cu/SiC Interface by Molecular Dynamics Simulation,
Comput. Mater. Sci. 82, 17 (2014)Paper link.

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