Control Of Thermal Transport Research Articles

Strong Impact of Particle Size Polydispersity on the Thermal Conductivity of Yukawa Crystals

Control of thermal transport in colloidal crystals plays an important role in modern technologies. A deeper understanding of the governing heat transport processes in various systems, such as polydisperse colloidal crystals, is required. This study shows how strongly the particle size polydispersity of a model colloidal crystal influences the thermal conductivity. The thermal conductivity of model colloidal crystals has been calculated using molecular dynamics simulations. The model crystals created by particles interacting through Yukawa (screened-Coulomb) interaction are assumed to have a face-centered cubic structure. The influence of the Debye screening length, contact potential, and particle size polydispersity on the thermal conductivity of Yukawa crystals was investigated. It was found that an increase in particle size polydispersity causes a strong—almost fivefold—decrease in the thermal conductivity of Yukawa crystals. In addition, the obtained results showed that the effect of the particle size polydispersity on reducing the thermal conductivity of Yukawa crystals is stronger than changes in values of the Debye screening length or the contact potential.

Optically Gated Electrostatic Field-Effect Thermal Transistor.

Dynamic tuning of thermal transport in solids is scientifically intriguing with wide applications for thermal transport control in electronic devices. In this work, we demonstrate a thermal transistor, a device in which heat flow can be regulated using external control, realized in a topological insulator (TI) through the topological surface states. The tuning of thermal transport is achieved by using optical gating of a thin dielectric layer deposited on the TI film. The gate-dependent thermal conductivity is measured using micro-Raman thermometry. The transistor has a large ON/OFF ratio of 2.8 at room temperature and can be continuously and repetitively switched in tens of seconds by optical gating and potentially much faster by electrical gating. Such thermal transistors with a large ON/OFF ratio and fast switching times offer the possibilities of smart thermal devices for active thermal management and control in future electronic systems.

Low voltage–driven high-performance thermal switching in antiferroelectric PbZrO 3 thin films

Effective control of heat transfer is vital for energy saving and carbon emission reduction. In contrast to achievements in electrical conduction, active control of heat transfer is much more challenging. Ferroelectrics are promising candidates for thermal switching as a result of their tunable domain structures. However, switching ratios in ferroelectrics are low (<1.2). We report that high-quality antiferroelectric PbZrO 3 epitaxial thin films exhibit high-contrast (>2.2), fast-speed (<150 nanoseconds), and long-lifetime (>10 7 ) thermal switching under a small voltage (<10 V). In situ reciprocal space mapping and atomistic modelings reveal that the field-driven antiferroelectric-ferroelectric phase transition induces a substantial change of primitive cell size, which modulates phonon-phonon scattering phase space drastically and results in high switching ratio. These results advance the concept of thermal transport control in ferroic materials.

Ultrafast Switching of Interfacial Thermal Conductance.

Dynamical control of thermal transport at the nanoscale provides a time-domain strategy for optimizing thermal management in nanoelectronics, magnetic devices, and thermoelectric devices. However, the rate of change available for thermal switches and regulators is limited to millisecond time scales, calling for a faster modulation speed. Here, time-resolved X-ray diffraction measurements and thermal transport modeling reveal an ultrafast modulation of the interfacial thermal conductance of an FeRh/MgO heterostructure as a result of a structural phase transition driven by optical excitation. Within 90 ps after optical excitation, the interfacial thermal conductance is reduced by a factor of 5 and lasts for a few nanoseconds, in comparison to the value at the equilibrium FeRh/MgO interface. The experimental results combined with thermal transport calculations suggest that the reduced interfacial thermal conductance results from enhanced phonon scattering at the interface where the lattice experiences transient in-plane biaxial stress due to the structural phase transition of FeRh. Our results suggest that optically driven phase transitions can be utilized for ultrafast nanoscale thermal switches for device application.

Implication of the double-gating mode in a hybrid photon counting detector for measurements of transient heat conduction in GaAs/AlAs superlattice structures.

Understanding and control of thermal transport in solids at the nanoscale are crucial in engineering and enhance the properties of a new generation of optoelectronic, thermoelectric and photonic devices. In this regard, semiconductor superlattice structures provide a unique platform to study phenomena associated with phonon propagations in solids such as heat conduction. Transient X-ray diffraction can directly probe atomic motions and therefore is among the rare techniques sensitive to phonon dynamics in condensed matter. Here, optically induced transient heat conduction in GaAs/AlAs superlattice structures is studied using the EIGER2 detector. Benchmark experiments have been performed at the Austrian SAXS beamline at Elettra-Sincrotrone Trieste operated in the hybrid filling mode. This work demonstrates that drifts of experimental conditions, such as synchrotron beam fluctuations, become less essential when utilizing the EIGER2 double-gating mode which results in a faster acquisition of high-quality data and facilitates data analysis and data interpretation.

Wide-range continuous tuning of the thermal conductivity of La0.5Sr0.5CoO3-δ films via room-temperature ion-gel gating

Solid-state control of the thermal conductivity of materials is of exceptional interest for novel devices such as thermal diodes and switches. Here, we demonstrate the ability to continuously tune the thermal conductivity of nanoscale films of La0.5Sr0.5CoO3-δ (LSCO) by a factor of over 5, via a room-temperature electrolyte-gate-induced non-volatile topotactic phase transformation from perovskite (with δ ≈ 0.1) to an oxygen-vacancy-ordered brownmillerite phase (with δ = 0.5), accompanied by a metal-insulator transition. Combining time-domain thermoreflectance and electronic transport measurements, model analyses based on molecular dynamics and Boltzmann transport equation, and structural characterization by X-ray diffraction, we uncover and deconvolve the effects of these transitions on heat carriers, including electrons and lattice vibrations. The wide-range continuous tunability of LSCO thermal conductivity enabled by low-voltage (below 4 V) room-temperature electrolyte gating opens the door to non-volatile dynamic control of thermal transport in perovskite-based functional materials, for thermal regulation and management in device applications.

Prediction and Control of Thermal Transport at Defective State Gr/h-BN Heterojunction Interfaces.

The control of interfacial thermal conductivity is the key to two-dimensional heterojunction in semiconductor devices. In this paper, by using non-equilibrium molecular dynamics (NEMD) simulations, we analyze the regulation of interfacial thermal energy transport in graphene (Gr)/hexagonal boron nitride (h-BN) heterojunctions and reveal the variation mechanism of interfacial thermal energy transport. The calculated results show that 2.16% atomic doping can effectively improve interfacial heat transport by more than 15.6%, which is attributed to the enhanced phonon coupling in the mid-frequency region (15-25 THz). The single vacancy in both N and B atoms can significantly reduce the interfacial thermal conductivity (ITC), and the ITC decreases linearly with the increase in vacancy defect concentration, mainly due to the single vacancy defects leading to an increased phonon participation rate (PPR) below 0.4 in the low-frequency region (0-13 THz), which shows the phonon the localization feature, which hinders the interfacial heat transport. Finally, a BP neural network algorithm is constructed using machine learning to achieve fast prediction of the ITC of Gr/h-BN two-dimensional heterogeneous structures, and the results show that the prediction error of the model is less than 2%, and the method will provide guidance and reference for the design and optimization of the ITC of more complex defect-state heterogeneous structures.

Tailoring thermal insulation architectures from additive manufacturing

Tailoring thermal transport by structural parameters could result in mechanically fragile and brittle networks. An indispensable goal is to design hierarchical architecture materials that combine thermal and mechanical properties in a continuous and cohesive network. A promising strategy to create such a hierarchical network targets additive manufacturing of hybrid porous voxels at nanoscale. Here we describe the convergence of agile additive manufacturing of porous hybrid voxels to tailor hierarchically and mechanically tunable objects. In one strategy, the uniformly distributed porous silica voxels, which form the basis for the control of thermal transport, are non-covalently interfaced with polymeric networks, yielding hierarchic super-elastic architectures with thermal insulation properties. Another additive strategy for achieving mechanical strength involves the versatile orthogonal surface hybridization of porous silica voxels retains its low thermal conductivity of 19.1 mW m−1 K−1, flexible compressive recovery strain (85%), and tailored mechanical strength from 71.6 kPa to 1.5 MPa. The printed lightweight high-fidelity objects promise thermal aging mitigation for lithium-ion batteries, providing a thermal management pathway using 3D printed silica objects.

Thermal superconducting quantum interference proximity transistor

Superconductors are known to be excellent thermal insulators at low temperature owing to the presence of the energy gap in their density of states (DOS). In this context, the superconducting \textit{proximity effect} allows to tune the local DOS of a metallic wire by controlling the phase bias ($\varphi$) imposed across it. As a result, the wire thermal conductance can be tuned over several orders of magnitude by phase manipulation. Despite strong implications in nanoscale heat management, experimental proofs of phase-driven control of thermal transport in superconducting proximitized nanostructures are still very limited. Here, we report the experimental demonstration of efficient heat current control by phase tuning the superconducting proximity effect. This is achieved by exploiting the magnetic flux-driven manipulation of the DOS of a quasi one-dimensional aluminum nanowire forming a weal-link embedded in a superconducting ring. Our thermal superconducting quantum interference transistor (T-SQUIPT) shows temperature modulations up to $\sim 16$ mK yielding a temperature-to-flux transfer function as large as $\sim 60$ mK/$\Phi_0$. Yet, phase-slip transitions occurring in the nanowire Josephson junction induce a hysteretic dependence of its local DOS on the direction of the applied magnetic field. Thus, we also prove the operation of the T-SQUIPT as a phase-tunable \textit{thermal memory}, where the information is encoded in the temperature of the metallic mesoscopic island. Besides their relevance in quantum physics, our results are pivotal for the design of innovative coherent caloritronics devices such as heat valves and temperature amplifiers suitable for thermal logic architectures.

Electronic and Lattice Thermal Conductivity Switching by 3D−2D Crystal Structure Transition in Nonequilibrium (Pb1−xSnx)Se

AbstractDynamic control of thermal transport in solid materials is highly desired for thermal management technology. However, the development of a material exhibiting large modulation of thermal conductivity (κ) by external stimuli remains a major challenge. Here, the large κ modulation is reported by the reversible 3D to 2D crystal structure transition in a nonequilibrium solid solution of (Pb1−xSnx)Se, where Pb2+ stabilizes a 3D cubic structure while Sn2+ does a 2D layered structure. The phase boundary of these phases is induced in (Pb0.5Sn0.5)Se bulk polycrystals by thermally quenching the high‐temperature solid solution phase. Through the 3D–2D phase transition, the 1/2.9‐times decrease of lattice κ (κlat.) is achieved by strong phonon scattering in the 2D layered structure, and the electronic κ (κele.) is also decreased by 5 orders of magnitude due to the electronic phase transition from a 3D high conductivity state to a 2D semiconducting state. The total κ (=κlat. + κele.) modulation ratio κ3D phase/κ2D phase = 3.6 is attained at 373 K. The present strategy will lead to a novel concept for designing thermal management materials through crystal‐structure dimensionality switch using nonequilibrium phase boundaries.

Reducing Kapitza resistance between graphene/water interface via interfacial superlattice structure

The control of thermal transport across solid/liquid interface has attracted great interests for efficient thermal management in the integrated devices. Based on molecular dynamics simulations, we study the effect of interfacial superlattice structure on the Kapitza resistance between graphene/water interface. Compared to the original interface, introducing interfacial superlattice structure can result in an obvious reduction of Kapitza resistance by as large as 40%, exhibiting a decreasing trend of Kapitza resistance with the decrease of superlattice period. Surprisingly, by analyzing the structure of water block and atomic vibration characteristics on both sides of the interface, we find the interfacial superlattice structure has a minor effect on the water structure and overlap in the vibrational spectrum, suggesting that the improved interfacial heat transfer is not mainly originated from the liquid block. Instead, the spectral energy density analysis reveals that phonon scattering rate in the interfacial graphene layer is significantly enhanced after superlattice decoration, giving rise to the increased thermal resistance between the interfacial graphene layer and its nearest neighboring layer. As this thermal resistance is coupled to the Kapitza resistance due to the local nature of interfacial superlattice decoration, the enhanced thermal resistance in the solid segment indirectly reduces the Kapitza resistance between graphene/water interface, which is supported by the enhancement of the spectral interfacial thermal conductance upon superlattce decoration at microscopic level. Our study uncovers the physical mechanism for controlling heat transfer across solid/liquid interface via interfacial superlattice structure, which might provide valuable insights for designing efficient thermal interfaces.

Influence of randomly distributed vacancy defects on thermal transport in two-dimensional group-III nitrides

Efficient thermal transport control is a fundamental issue for electronic device applications such as information, communication, and energy storage technologies in modern electronics in order to achieve desired thermal conditions. Structural defects in materials provide a mechanism to adjust the thermal transport properties of these materials on demand. In this context, the effect of structural defects on lattice thermal conductivities of two-dimensional hexagonal binary group-III nitride (XN, X=B, Al, and Ga) semiconductors is systematically investigated by means of classical molecular dynamics simulations performed with recently developed transferable inter-atomic potentials accurately describing defect energies. Here, two different Green–Kubo based approaches and another approach based on non-equilibrium molecular dynamics are compared in order to get an overall understanding. Our investigation clearly shows that defect concentrations of 3% decrease the thermal conductivity of systems containing these nitrites up to 95%. Results hint that structural defects can be used as effective adjustment parameters in controlling thermal transport properties in device applications associated with these materials.

Effects of mass and interaction mismatches on in-plane and cross-plane thermal transport of Si-doped graphene

The effects of silicon (Si) doping on the in-plane and cross-plane thermal transport of suspended and silicon dioxide (SiO2) supported graphene were investigated via molecular dynamics simulations. Due to the large mismatch in atomic mass and interaction with neighboring carbon atoms, Si can act as an effective phonon scatterer, thus suppressing the thermal transport. In this study, we evaluated the contributions of mass and interaction mismatches of Si dopants to the reduction in the in-plane thermal conductivity and the cross-plane thermal resistance through systematic control of the dopant's properties. 2% Si doping reduces the in-plane transport of suspended graphene by ~94% due to the increased scattering, while the SiO2-supported graphene is less affected. The phonon scattering by Si linearly increases with the Si content, and the interaction mismatch has a greater influence on the phonon kinetics during in-plane transport than the mass mismatch. In contrast, the cross-plane transport is enhanced by Si doping, decreasing the interfacial thermal resistance by ~30%, because of the stronger interfacial interactions by weaker in-plane bonding and the smaller atomic mass mismatch with the substrate material. The enhanced understanding of doping effects on thermal transport from this research is expected to provide insights for effective thermal transport control in various graphene structures.

Nanoscale radiative thermal switching via multi-body effects.

Control of thermal transport at the nanoscale is of great current interest for creating novel thermal logic and energy conversion devices. Recent experimental studies have demonstrated that radiative heat transfer between macroscopic objects separated by nanogaps, or between nanostructures located in the far-field of each other, can exceed the blackbody limit. Here, we show that the radiative heat transfer between two coplanar SiN membranes can be modulated by factors as large as five by bringing a third planar object into close proximity of the membranes. Numerical modelling reveals that this modulation is due to a modification of guided modes (supported in the SiN nanomembranes) by evanescent interactions with the third object. This multi-body effect could offer an efficient pathway for active control of heat currents at the nanoscale.

Origins of significant reduction of lattice thermal conductivity in graphene allotropes

Coherent wave effects of thermal phonons hold promise of transformative opportunities in thermal transport control but remain largely unexplored due to the small wavelength of thermal phonons, typically below a few nanometers. This small length scale indicates that, instead of artificial phononic crystals, a more promising direction is to examine the coherent phonon effects in natural materials with hierarchical superstructures matching the thermal phonon wavelength. In this work, we use first-principles simulations to characterize the previously unstudied thermal properties of D-graphene and T-graphene, two-dimensional carbon allotropes based upon the traditional graphene structure but containing a secondary, in-plane periodicity. We find that despite very similar atomic structure and bonding strength, D-graphene and T-graphene possess significantly different thermal properties than that of pristine graphene. At room temperature, the calculated thermal conductivity of D-graphene and T-graphene is 600 Wm-1K-1 and 800 Wm-1K-1 compared to over 3000 Wm-1K-1 for graphene. We attribute these distinct properties to the presence of naturally occurring, low frequency optical phonon modes that display characteristics of phonon coherence and arise from a folding of the acoustic modes and the associated frequency gap opening, a phenomenon also found in superlattices where an out of plane periodicity is introduced. Furthermore, we observe significantly enhanced Umklapp scatterings in D- and T-graphene that largely suppress the hydrodynamic phonon transport in pristine graphene. Our study presents D-graphene and T-graphene as ideal model systems to explore the coherent phonon effects in 2D and demonstrates the potential of using coherent phonon effects to significantly modify thermal transport of 2D materials without making drastic changes to their fundamental compositions.

Effects of Cattaneo-Christov Heat Flux on Casson Nanofluid Flow Past a Stretching Cylinder

In this paper, we investigate the combined effects of Brownian motion, thermophoresis and Cattaneo-Christov heat flux on Casson nanofluid boundary layer flow over a stretching cylinder. The governing partial differential equations (PDEs) are obtained and transformed into a system of ordinary differential equations (ODEs) by employing appropriate similarity solution. The model nonlinear boundary value problem is tackled numerically using fourth-fifth order Runge-Kutta integration scheme with shooting technique. Effects of various thermophysical parameters on the velocity, temperature and concentration profiles as well as skin friction and Sherwood number are presented graphically and discussed quantitatively. It is found that thermal relaxation parameter minimizes the temperature field and boosting the rate of heat transfer per unit volume. This heat flux conditions are very useful for thermal transport control in manufacturing and chemical industries.

Anisotropic control of thermal transport in graphene/Si heterostructures

The cross-plane interaction across interface changes phonon kinetics and spectrum near the interface, and the interaction effects on both in-plane and cross-plane thermal transport are investigated in graphene/Si heterostructure. The interaction with substrates dramatically reduces the in-plane thermal conductivity of graphene by changing the behaviors of the out-of-plane phonons as well as adding phonon-substrate scatterings. Applying pressure up to 2.6 GPa to the sandwiched graphene reduces the cross-plane interfacial thermal resistance by 50% without altering the in-plane thermal conductivity in a significant way. The pressure increases the inter-layer coupling and creates a low-energy phonon transport channel between graphene and Si with minor effects on phonons propagating along the graphene. This study suggests the anisotropic control of thermal transport, and the physics and calculation results can be used to improve the thermal design and analysis in two-dimensional nano-electronic devices.

Near-field radiative heat transfer between parallel structures in the deep subwavelength regime.

Thermal radiation between parallel objects separated by deep subwavelength distances and subject to large thermal gradients (>100 K) can reach very high magnitudes, while being concentrated on a narrow frequency distribution. These unique characteristics could enable breakthrough technologies for thermal transport control and electricity generation (for example, by radiating heat exactly at the bandgap frequency of a photovoltaic cell). However, thermal transport in this regime has never been achieved experimentally due to the difficulty of maintaining large thermal gradients over nanometre-scale distances while avoiding other heat transfer mechanisms, namely conduction. Here, we show near-field radiative heat transfer between parallel SiC nanobeams in the deep subwavelength regime. The distance between the beams is controlled by a high-precision micro-electromechanical system (MEMS). We exploit the mechanical stability of nanobeams under high tensile stress to minimize thermal buckling effects, therefore keeping control of the nanometre-scale separation even at large thermal gradients. We achieve an enhancement of heat transfer of almost two orders of magnitude with respect to the far-field limit (corresponding to a 42 nm separation) and show that we can maintain a temperature gradient of 260 K between the cold and hot surfaces at ∼100 nm distance.

Room-temperature voltage tunable phonon thermal conductivity via reconfigurable interfaces in ferroelectric thin films.

Dynamic control of thermal transport in solid-state systems is a transformative capability with the promise to propel technologies including phononic logic, thermal management, and energy harvesting. A solid-state solution to rapidly manipulate phonons has escaped the scientific community. We demonstrate active and reversible tuning of thermal conductivity by manipulating the nanoscale ferroelastic domain structure of a Pb(Zr0.3Ti0.7)O3 film with applied electric fields. With subsecond response times, the room-temperature thermal conductivity was modulated by 11%.

Nanoscale thermal transport. II. 2003–2012

A diverse spectrum of technology drivers such as improved thermal barriers, higher efficiency thermoelectric energy conversion, phase-change memory, heat-assisted magnetic recording, thermal management of nanoscale electronics, and nanoparticles for thermal medical therapies are motivating studies of the applied physics of thermal transport at the nanoscale. This review emphasizes developments in experiment, theory, and computation in the past ten years and summarizes the present status of the field. Interfaces become increasingly important on small length scales. Research during the past decade has extended studies of interfaces between simple metals and inorganic crystals to interfaces with molecular materials and liquids with systematic control of interface chemistry and physics. At separations on the order of ∼1 nm, the science of radiative transport through nanoscale gaps overlaps with thermal conduction by the coupling of electronic and vibrational excitations across weakly bonded or rough interfaces between materials. Major advances in the physics of phonons include first principles calculation of the phonon lifetimes of simple crystals and application of the predicted scattering rates in parameter-free calculations of the thermal conductivity. Progress in the control of thermal transport at the nanoscale is critical to continued advances in the density of information that can be stored in phase change memory devices and new generations of magnetic storage that will use highly localized heat sources to reduce the coercivity of magnetic media. Ultralow thermal conductivity—thermal conductivity below the conventionally predicted minimum thermal conductivity—has been observed in nanolaminates and disordered crystals with strong anisotropy. Advances in metrology by time-domain thermoreflectance have made measurements of the thermal conductivity of a thin layer with micron-scale spatial resolution relatively routine. Scanning thermal microscopy and thermal analysis using proximal probes has achieved spatial resolution of 10 nm, temperature precision of 50 mK, sensitivity to heat flows of 10 pW, and the capability for thermal analysis of sub-femtogram samples.