225 citations · 987 across the 20 of their papers we have counts for
21 papers
Local Alloy Order in a Ge1-xSnx/Ge Epitaxial Layer
Agnieszka Anna Corley-Wiciak, Shunda Chen, Omar Concepción +6
The local ordering of atoms in alloys directly has a strong impact on their electronic and optical properties. This is particularly relevant in nonrandom alloys, especially if they…
Coexistence of two types of short-range order in SiGeSn medium-entropy alloys
Xiaochen Jin, Shunda Chen, Tianshu Li
Short-range chemical order (SRO) has been recently demonstrated to play a decisive role in modulating a wide range of physical properties in medium-entropy alloy (MEA) and high-ent…
Engineering thermal transport across layered graphene-MoS2 superlattices
Aditya Sood, Charles Sievers, Yong Cheol Shin +7
Layering two-dimensional van der Waals materials provides unprecedented control over atomic placement, which could enable tailoring of vibrational spectra and heat flow at the sub-…
Short-range order in GeSn alloy
Boxiao Cao, Shunda Chen, Xiaochen Jin +2
Group IV alloys have been long viewed as homogeneous random solid solutions since they were first perceived as Si-compatible, direct-band-gap semiconductors 30 years ago. Such a pe…
Transferability of neural network potentials for varying stoichiometry: phonons and thermal conductivity of MnGe compounds
Claudia Mangold, Shunda Chen, Giuseppe Barbalinardo +7
Germanium manganese compounds exhibit a variety of stable and metastable phases with different stoichiometry. These materials entail interesting electronic, magnetic and thermal pr…
Mn-Intercalated MoSe under pressure: electronic structure and vibrational characterization of a dilute magnetic semiconductor
Shunda Chen, Virginia L. Johnson, Davide Donadio +1
Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D…
Influence of Boundaries and Thermostatting on Nonequilibrium Molecular Dynamics Simulations of Heat Conduction in Solids
Zhen Li, Shiyun Xiong, Charles Sievers +7
Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at d…
Strongly Tunable Anisotropic Thermal Transport in MoS2 by Strain and Lithium Intercalation: First--Principles Calculations
Shunda Chen, Aditya Sood, Eric Pop +2
The possibility of tuning the vibrational properties and the thermal conductivity of layered van der Waals materials either chemically or mechanically paves the way to significant…
Quasi-ballistic thermal transport across MoS thin films
Aditya Sood, Feng Xiong, Shunda Chen +7
Layered two-dimensional (2D) materials have highly anisotropic thermal properties between the in-plane and cross-plane directions. In general, it is thought that cross-plane therma…
An electrochemical thermal transistor
Aditya Sood, Feng Xiong, Shunda Chen +9
The ability to actively regulate heat flow at the nanoscale could be a game changer for applications in thermal management and energy harvesting. Such a breakthrough could also ena…
An efficient thermal diode with ballistic spacer
Shunda Chen, Davide Donadio, Giuliano Benenti +1
Thermal rectification is of importance not only for fundamental physics, but also for potential applications in thermal manipulations and thermal management. However, thermal recti…
Key role of asymmetric interactions in low-dimensional heat transport
Shunda Chen, Yong Zhang, Jiao Wang +1
We study the heat current autocorrelation function (HCAF) in one-dimensional, momentum-conserving lattices. In particular, we explore if there is any relation between the decaying…
Connection between heat diffusion and heat conduction in one-dimensional systems
Shunda Chen, Yong Zhang, Jiao Wang +1
Heat and energy are conceptually different, but often are assumed to be the same without justification. An effective method for investigating diffusion properties in equilibrium sy…
Ingredients for an efficient thermal diode
Shunda Chen, Emmanuel Pereira, Giulio Casati
We provide convincing empirical evidence that long range interactions strongly enhance the rectification effect which takes place in mass graded systems. Even more importantly the…
Thermoelectricity of interacting particles: A numerical approach
Shunda Chen, Jiao Wang, Giulio Casati +1
A method for computing the thermopower in interacting systems is proposed. This approach, which relies on Monte Carlo simulations, is illustrated first for a diatomic chain of hard…
Non-integrability and the Fourier heat conduction law
Shunda Chen, Jiao Wang, Giulio Casati +1
We study in momentum-conserving systems, how nonintegrable dynamics may affect thermal transport properties. As illustrating examples, two one-dimensional (1D) diatomic chains, rep…
Why asymmetric interparticle interaction can result in convergent heat conductivity
Shunda Chen, Yong Zhang, Jiao Wang +1
We show that the asymmetric inter-particle interactions may induce rapid decay of heat current autocorrelation in one-dimensional momentum conserving lattices. When the asymmetry d…
Breakdown of effective phonon theory in one-dimensional chains with asymmetric interactions
Yong Zhang, Shunda Chen, Jiao Wang +1
Phonons are universal language for solid state theory. Effective phonon theory (self-consistent harmonic approximation) have been extensively used to access the weakly nonlinear ef…
Finite-size effects on current correlation functions
Shunda Chen, Yong Zhang, Jiao Wang +1
We study why the calculation of current correlation functions (CCFs) still suffers from finite size effects even when the periodic boundary condition is taken. Two important one di…
Breakdown of the power-law decay prediction of the heat current correlation in one-dimensional momentum conserving lattices
Shunda Chen, Yong Zhang, Jiao Wang +1
We show that the asymmetric inter-particle interactions can induce rapid decay of the heat current correlation in one-dimensional momentum conserving lattices. When the asymmetry d…
Diffusion of heat, energy, momentum, and mass in one-dimensional systems
Shunda Chen, Yong Zhang, Jiao Wang +1
We study diffusion processes of local fluctuations of heat, energy, momentum, and mass in three paradigmatic one-dimensional systems. For each system, diffusion processes of four p…