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Lattice thermal conductivity (kL) is a crucial physical property of crystals with applications in thermal management, such as heat dissipation, insulation, and thermoelectric energy conversion. However, accurately and rapidly determining kL poses a considerable challenge. In this study, we introduce an formula that achieves high precision (mean relative error=8.97%) and provides fast predictions, taking less than one minute, for kL across a wide range of inorganic binary and ternary materials. Our interpretable, dimensionally aligned and physical grounded formula forecasts kL values for 4,601 binary and 6,995 ternary materials in the Materials Project database. Notably, we predict undiscovered high kL values for AlBN2 (kL=101 W/ m/ K) and the undetectedlow kL Cs2Se (kL=0.98 W/ m/ K) at room temperature. This method for determining kL streamlines the traditionally time-consuming process associated with complex phonon physics. It provides insights into microscopic heat transport and facilitates the design and screening of materials with targeted and extreme kL values through the application of phonon engineering. Our findings offer opportunities for controlling and optimizing macroscopic transport properties of materials by engineering their bulk modulus, shear modulus, and Gruneisen parameter.

"AI for science" is widely recognized as a future trend in the development of scientific research. Currently, although machine learning algorithms have played a crucial role in scientific research with numerous successful cases, relatively few instances exist where AI assists researchers in uncovering the underlying physical mechanisms behind a certain phenomenon and subsequently using that mechanism to improve machine learning algorithms' efficiency. This article uses the investigation into the relationship between extreme Poisson's ratio values and the structure of amorphous networks as a case study to illustrate how machine learning methods can assist in revealing underlying physical mechanisms. Upon recognizing that the Poisson's ratio relies on the low-frequency vibrational modes of dynamical matrix, we can then employ a convolutional neural network, trained on the dynamical matrix instead of traditional image recognition, to predict the Poisson's ratio of amorphous networks with a much higher efficiency. Through this example, we aim to showcase the role that artificial intelligence can play in revealing fundamental physical mechanisms, which subsequently improves the machine learning algorithms significantly., Comment: 15 pages, 5 figures

Interfacial thermal resistance arises challenges for the thermal management as the modern semiconductors are miniatured to nanoscale. Previous studies found that graded mass distribution in interface can maximumly enhance the interfacial thermal conductance of crystalline interface, however, whether this strategy is effective for amorphous interface is less explored. In this work, graded mass distribution in the amorphous interface between crystalline Si and crystalline Ge is optimized to increase the interfacial thermal conductance by the extended atomistic Greens function method.

We investigate the influence of three- and four-phonon scattering, perturbative anharmonic phonon renormalization, and off-diagonal terms of coherent phonons on the thermal conductivity of CsPbBr3 phase change perovskite, by using advanced implementations and first-principles simulations. Our study spans a wide temperature range covering the entire structural spectrum. Notably, we demonstrate that the interactions between acoustic and optical phonons result in contrasting trends of phonon frequency shifts for the high-lying optical phonons in orthorhombic and cubic CsPbBr3 as temperature varies. Our findings highlight the significance of wave-like tunneling of coherent phonons in ultralow and glass-like thermal conductivity in halide perovskites., Comment: 9 pages, 4 figures

One of the current challenges in nanoscience is tailoring phononic devices, such as thermal regulators and thermal computing. This has long been a rather elusive task because the thermal-switching ratio is not as high as electronic analogs. Mapping from a topological kirigami assembly, nitrogen-doped porous graphene metamaterials on the nanoscale are inversely designed with a thermal-switching ratio of 27.79, which is more than double the value of previous work. We trace this behavior to the chiral folding-unfolding deformation, resulting in a metal-insulator transition. This study provides a nanomaterial design paradigm to bridge the gap between kinematics and functional metamaterials that motivates the development of high-performance thermal regulators.

We report a local minimum in thermal conductivity in twisted bilayer graphene (TBG) at the angle of 1.08$^\circ$, which corresponds to the 'magic angle' in the transition of several other reported properties. Within the supercell of a moir\'e lattice, different stacking modes generate phonon scattering sites which reduce the thermal conductivity of TBG. The thermal magic angle arises from the competition between the delocalization of atomic vibrational amplitudes and stresses on one hand, and the increased AA stacking density on the other hand. The former effect weakens the scattering strength of a single scatterer while the latter one increases the density of scatterers. The combination of these two effects eventually leads to the apparition of the highlighted irregularity in heat conduction. The manifestation of a magic angle, disclosing new thermal mechanisms at nanoscale, further uncovers the unique physics of two-dimensional materials., Comment: 15 pages, 5 figures

Nanostructuring on length scales corresponding to phonon mean free paths provides control over heat flow in semiconductors and makes it possible to engineer their thermal properties. However, the influence of boundaries limits the validity of bulk models, while first principles calculations are too computationally expensive to model real devices. Here we use extreme ultraviolet beams to study phonon transport dynamics in a 3D nanostructured silicon metalattice with deep nanoscale feature size, and observe dramatically reduced thermal conductivity relative to bulk. To explain this behavior, we develop a predictive theory wherein thermal conduction separates into a geometric permeability component and an intrinsic viscous contribution, arising from a new and universal effect of nanoscale confinement on phonon flow. Using experiments and atomistic simulations, we show that our theory applies to a general set of highly-confined silicon nanosystems, from metalattices, nanomeshes, porous nanowires to nanowire networks, of great interest for next-generation energy-efficient devices.

We develop a unified theory for the second sound in two dimensional materials. Previously studied drifting and driftless second sound are two limiting cases of the theory, corresponding to the drift and diffusive part of the energy flux, respectively. We find that due to the presence of quadratic flexural phonons the drifting second sound does not exist in the thermodynamic limit, while the driftless mode is less affected. This is understood as a result of infinite effective inertia of flexual phonons, due to their constant density states and divergent Bose-Einstein distribution in the long wave length limit. Consequently, the group velocity of the drifting mode is smaller than that of the driftless mode. However, upon tensile strain, the velocity of drifting mode becomes larger. Both of them increase with tensile strain due to the linearization of the flexural phonon dispersion. Our results clarify several puzzles encountered previously and pave the way for exploring wave-like heat transport beyond hydrodynamic regime.

We show that in multimode mechanical systems, the amplification of the lowest mode and the damping of all the other modes can be realized simultaneously via nonlinear feedback. The feedback-induced dynamics of the multimode system is related to the formation of phonon condensation. The phonon statistics of the lowest mode are similar to those of a phonon laser. Finally, we show the coherence of the lowest mode can be improved by an order of magnitude., Comment: 6 pages, 4 figures

Manipulation of micro/nano particles has been well studied and demonstrated by optical, electromagnetic, and acoustic approaches, or their combinations. Manipulation of internal structure of droplet/particle is rarely explored and remains challenging due to its complicated nature. Here we demonstrated the manipulation of internal structure of disk-in-sphere endoskeletal droplets using acoustic wave for the first time. We developed a model to investigate the physical mechanisms behind this novel phenomenon. Theoretical analysis of the acoustic interactions indicated that these assembly dynamics arise from a balance of the primary and secondary radiation forces. Additionally, the disk orientation was found to change with acoustic driving frequency, which allowed on-demand, reversible adjusting disk orientations with respect to the substrate. This novel dynamic behavior leads to unique reversible arrangements of the endoskeletal droplets and their internal architecture, which may provide a new avenue for directed assembly of novel hierarchical colloidal architectures and intracellular organelles or intra-organoid structures.

The reciprocity principle governs the symmetry in transmission of electromagnetic and acoustic waves, as well as the diffusion of heat between two points in space, with important consequences for thermal management and energy harvesting. There has been significant recent interest in materials with time-modulated properties, which have been shown to efficiently break reciprocity for light, sound, and even charge diffusion. Quite surprisingly, here we show that, from a practical point of view, time modulation cannot generally be used to break reciprocity for thermal diffusion. We establish a theoretical framework to accurately describe the behavior of diffusive processes under time modulation, and prove that thermal reciprocity in dynamic materials is generally preserved by the continuity equation, unless some external bias or special material is considered. We then experimentally demonstrate reciprocal heat transfer in a time-modulated device. Our findings correct previous misconceptions regarding reciprocity breaking for thermal diffusion, revealing the generality of symmetry constraints in heat transfer, and clarifying its differences from other transport processes in what concerns the principles of reciprocity and microscopic reversibility.

The study of nonreciprocal wave propagation is of great interests for both fundamental research and engineering applications. Here we demonstrate theoretically and experimentally a bidirectional, nonreciprocal, and high-quality diode that can rectify elastic waves in both forward and backward directions in an elastic metamaterial designed to exhibit enhanced nonlinearity of resonances. This diode can preserve or vary frequency, rectify low-frequency long wave with small system size, offer high-quality insulation, can be modulated by amplitude, and break reciprocity of both the total energy and fundamental wave. We report three mechanisms to break reciprocity: the amplitude-dependent bandgap combining interface reflection, chaotic response combining linear bandgap, amplitude-dependent attenuation rate in damping diode. The bidirectional diode paves ways for mutually controlling information/energy transport between two sources, which can be used as new wave insulators., Comment: 11 pages, 13 figures

We propose that the optomechanical systems can be potential platforms to implement the Fr\"{o}hlich condensate of phonons. We consider a one-dimensional array of membranes coupled to the cavity field via a quadratic interaction, and the cavity is pumped by an external laser. Analytical and numerical results predict that the high phonon occupancy of the lowest or highest mechanical mode is achievable depending on the detuning of the driving laser, the optomechnical strength, and the temperature. The decoherence of the Fr\"{o}hlich condensate can be largely suppressed by the large number of membranes. Our results shed light on narrow-linewidth phonon laser, energy conversion/transfer, and efficient multimode cooling., Comment: 13 pages, 9 figures

The demand for sophisticated tools and approaches in heat management and control has triggered fast development of emerging fields including conductive thermal metamaterials, nanophononics, far-field and near-field radiative thermal management, etc. In this review, we cast a unified perspective on the control of heat transfer, based on which the related studies can be considered as complementary paradigms toward manipulating physical parameters and realizing unprecedented phenomena in heat transfer using artificial structures, such as thermal conductivity in heat conduction, thermal emissivity in radiation, and properties related to multi-physical effects. The review is divided into three parts that focus on the three main categories of heat flow control, respectively. Thermal conduction and radiation are emphasized in the first and second parts at both macro- and micro-scale. The third part discusses the efforts to actively introduce heat sources or tune the material parameters with multi-physical effects in both conduction and radiation, including works using thermal convection. We conclude the review with challenges in this research topic and new possibilities about topological thermal effects, heat waves, and quantum thermal effects., Comment: 36 pages, 5 figures

The microscopic mechanism of thermal transport in liquids and amorphous solids has been an outstanding problem for a long time. There have been several different approaches to explain the thermal conductivities for these systems, for example, the Bridgman's formula for simple liquids, the concept of the minimum thermal conductivity for amorphous solids, and the thermal resistance network model for amorphous polymers. Here, we present a ubiquitous formula to explain the thermal conductivities of liquids and amorphous solids in a unified way. The calculated thermal conductivities using this formula without fitting parameters are in excellent agreement with the experimental data for these systems. Our formula is not only providing detailed implications on microscopic mechanisms of heat transfer in these systems, but also solves the discrepancies between existing formulae and experimental data.

We theoretically investigate the energy relaxation rate of magnons and phonons near the resonance points to clarify the underlying mechanism of heat transport in ferromagnetic materials. We find that the simple two-temperature model is valid for the one-phonon/one-magnon process, as the rate of energy exchange between magnons and phonons is proportional to the temperature difference between them, and it is independent of temperature in the high temperature limit. We found that the magnon-phonon relaxation time due to the one-phonon/one-magnon interaction could be reduced to 1.48 $\mu s$ at the resonance point by applying an external magnetic field. It means that the resonance effect plays a significant role in enhancing the total magnon-phonon energy exchange rate, apart from the higher order interaction processes.

When heat transfers through interface between two different materials, it will encounter an interfacial thermal resistance (ITR) that makes the temperature discontinuous. This effect has been totally neglected so far in the research of thermal cloak, in particular when the thermal cloak is built with multilayer structures. In this paper, we investigate the effect of ITR on the performance of the thermal cloak by using both analytical and numerical method. Our results show that the existence of ITR will distort the external field, thus destroy the cloak. Moreover, we found that the effect of ITR can be quantified by a parameter called characteristic length., Comment: 7 pages, 7 figures

We report phonon renormalization induced by an external electric field E in ferroelectric poly(vinylidene fluoride-trifluoroethylene) [P(VDF-TrFE)] nanofibers through measuring the E-dependent thermal conductivity. Our experimental results are in excellent agreement with the theoretical ones derived from the lattice dynamics. The renormalization is attributed to the anharmonicity that modifies the phonon spectrum when the atoms are pulled away from their equilibrium positions by the electric field. Our finding provides an efficient way to manipulate the thermal conductivity by tuning external fields in ferroelectric materials.

The evolution of a quantum system towards thermal equilibrium is usually studied by approximate methods, which have their limits of validity and should be checked against analytically solvable models. In this paper, we propose an analytically solvable model to investigate the energy transfer between a bosonic bath and a fermionic chain which are nonlinearly-coupled to each other. The bosonic bath consists of an infinite collection of non-interacting bosonic modes, while the fermionic chain is represented by a chain of interacting fermions with nearest-neighbor interactions. We compare behaviors of the temperature-dependent energy current $J_{T}$ and temperature-independent energy current $J_{TI}$ for different bath configurations. With respect to the bath spectrum, $J_{T}$ decays exponentially for Lorentz-Drude type bath, which is the same as the conventional approximations. On the other hand, the decay rate is $1/t^{3}$ for Ohmic type and $1/t$ for white noise, which doesn't have conventional counterparts. For the temperature-independent current $J_{TI}$, the decay rate is divergent for the Lorentz-Drude type bath, $1/t^{4}$ for the Ohmic bath, and $1/t$ for the white noise. When further considering the dynamics of the fermionic chain, the current will be modulated based on the envelope from the bath. As an example, for a bosonic bath with Ohmic spectrum, when the fermionic chain is uniformly-coupled, we have $J_{T}\propto1/t^{6}$ and $J_{TI}\propto1/t^{3}$. Remarkably, for perfect state transfer (PST) couplings, there always exists an oscillating quantum energy current $J_{TI}$. Moreover, it is interesting that $J_{T}$ is proportional to $(N-1)^{1/2}$ at certain times for PST couplings under Lorentz-Drude or Ohmic bath., Comment: 6 pages, 1 figures

Hotspot is a ubiquitous phenomenon in microdevices/chips. In homogeneous nanoscale graphene disk with a hotspot, a graded thermal conductivity is observed previously even when the system size is fixed. However, the underlying physical mechanism is not clear. In this work, the hotspots in homogeneous 2D disk/3D ball and graphene disk are studied based on phonon Boltzmann transport equation. The mechanisms of phonon scattering are analyzed. It is found that for a system with fixed size, the graded thermal conductivity is predictable as long as there is not sufficient phonon scattering, which is independent on material properties, dimensions or system size. This work may shed light on both theoretical and experimental studies on heat dissipation of microelectronics., Comment: 5 pages, 3 figures, 48 references

Phononic metamaterials have attracted extensive attention since they are exibly adjustable to control the phonon transmission. In this work, we study a one-dimensional phononic metamaterial, made of mechanical resonant oscillators and chiral couplings. We show that by design, the oscillator mass and inter-oscillator coupling, although both are positive naturally, can be either single negative or double negative effectively within a certain frequency range. At the frequency where the effective mass and coupling are both infinite, a flat band emerges that will induce an extremely high density of states. At the critical point of band degeneracy, a Dirac-like point emerges where both effective mass and the inverse of effective coupling are simultaneously zero, so that zero index is realized for phonons. Moreover, the phononic topological phase transition is observed that the phononic band gap switches between single mass-negative and single coupling-negative regime. As a consequence, a topological interface state is identified, well explained by the theory.

Black phosphorus (BP) has emerged as a promising candidate for next generation electronics and optoelectronics among the 2D family materials due to its extraordinary electrical/optical/optoelectronic properties. Interestingly, BP shows strong anisotropic transport behaviour because of its puckered honeycomb structure. Previous studies have demonstrated the thermal transport anisotropy of BP and theoretically attribute this to the anisotropy in both phonon dispersion relation and phonon relaxation time. However, the exact origin of such strong anisotropy lacks clarity and has yet to be proven experimentally. In this work, we probe the thermal transport anisotropy of BP nanoribbons (NRs) by an electron beam technique. We provide direct evidence that the origin of this anisotropy is dominated by the anisotropic phonon group velocity for the first time, verified by Young modulus measurements along different directions. It turns out that the ratio of thermal conductivity between zigzag (ZZ) and armchair (AC) ribbons is almost same as that of the corresponding Young modulus values. The results from first-principles calculation are consistent with this experimental observation, where anisotropic phonon group velocity between ZZ and AC is shown. Our results provide fundamental insight into the anisotropic thermal transport in low symmetric crystals., Comment: 14 pages, 5 figures

Lattice thermal conductivities $\kappa_{\rm L}$ of type-I clathrates encapsulating "off-center" guest atoms behave in a way that is sharply different from those of conventional crystals such as on-center type-I clathrates. The latter decreases with increasing temperature according to 1/$T$ above a few tens\,K. While, $\kappa_{\rm L}$ of off-center clathrates increase T-linearly above a few tens K. Further increasing temperature above $T\gtrsim$100 K, $\kappa_{\rm L}$ saturates without exhibiting appreciable T-dependence. In this temperature regime, the standard formulation of $\kappa_{\rm L}$ based on the perturbation theory is unfeasible. We herein present a theory of $\kappa_{\rm L}$ based on "non-perturbative" approach by taking into account the interaction between non-vibrational off-center rattling states of guest atoms and cage shells. It is remarkable that our theory shows excellent agreement with observed $\kappa_{\rm L}(T)$ for off-center clathrates in magnitudes, the cage volume $\Omega$-dependence and T-dependence.

Polymers are usually considered as thermal insulators and their applications are limited by their low thermal conductivity. However, recent studies showed that certain polymers have surprisingly high thermal conductivity, some of which are comparable to that in poor metals or even silicon. In this review, we outline the experimental achievements and theoretical progress of thermal transport in polymers and their nanocomposites. The open questions and challenges of existing theories are discussed. Special attention is given to the mechanism of thermal transport, the enhancement of thermal conductivity in polymer nanocomposites/fibers, and their potential application as thermal interface materials., Comment: 24 pages,3 figures

Establishment of a new technique or extension of an existing technique for thermal and thermoelectric measurements to a more challenging system is an important task to explore the thermal and thermoelectric properties of various materials and systems. The bottleneck lies in the challenges in measuring the thermal contact resistance. In this work, we applied electron beam self-heating technique to derive the intrinsic thermal conductivity of suspended Molybdenum Disulfide (MoS2) ribbons and the thermal contact resistance, with which the interfacial thermal resistance between few-layer MoS2 and Pt electrodes was calculated. The measured room temperature thermal conductivity of MoS2 is around 30 W/mK, while the estimated interfacial thermal resistance is around 2*10-6 m2K/W. Our experiments extend a useful branch in application of this technique for studying thermal properties of suspended layered ribbons and have potential application in investigating the interfacial thermal resistance of different 2D heterojunctions., Comment: 18 pages, 5 figures; This paper is accepted by Science Bulletin

In most systems, its division into interacting constituent elements gives rise to a natural network structure. Analyzing the dynamics of these elements and the topology of these natural graphs gave rise to the fields of (nonlinear) dynamics and network science, respectively. However, just as an object in a potential well can be described as both a particle (real space representation) and a wave (reciprocal or Fourier space representation), the `natural' network structure of these interacting constituent elements is not unique. In particular, in this work we develop a formalism for Fourier Transforming these networks to create a new class of interacting constituent elements $-$ the coupled wave network $-$ and discuss the nontrivial experimental realizations of these structures. This perspective unifies many previously distinct structures, most prominently the set of local nonlinear lattice models, and reveals new forms of order in nonlinear media. Notably, by analyzing the topological characteristics of nonlinear scattering processes, we can control the system's dynamics and isolate the different dynamical regimes that arise from this reciprocal network structure, including the bounding scattering topologies., Comment: v1 is preliminary draft for APS March Meeting 2018; v2 is initial manuscript, prepared September 2018

The mechanism of thermal conductivity in amorphous polymers, especially polymer fibers, is unclear in comparison with that in inorganic materials. Here, we report the observation of across over of heat conduction behavior from three dimensions (3D) to quasi-one dimension (1D) in Polyimide(PI) nanofibers at a given temperature. A theoretical model based on the random walk theory has been proposed to quantitatively describe the interplay between the inter-chain hopping and the intra-chain hopping in nanofibers. This model explains well the diameter dependence of thermal conductivity and also speculates the upper limit of thermal conductivity of amorphous polymers in the quasi-1D limit., Comment: this article is published in National Science Review(NSR) Link: https://doi.org/10.1093/nsr/nwy004