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Harvesting waste heat with temperatures lower than 100 oC can improve system efficiency and reduce greenhouse gas emissions, yet it has been a longstanding and challenging task. Electrochemical methods for harvesting low-grade heat have…
Single-wall carbon nanotubes (SWNTs) were used to augment the thermal transport properties of industrial epoxy. Samples loaded with 1 wt% unpurified SWNT material show a 70% increase in thermal conductivity at 40K, rising to 125% at room…
Topological quantum materials (TQMs) have symmetry protected band structures with useful electronic properties that have applications in information, sensing, energy, and other technologies. In the past 10 years, the applications of TQMs in…
State-of-the-art techniques like dual-frequency Time-Domain Thermoreflectance (TDTR) and Frequency-Domain Thermoreflectance (FDTR) offer superb capability for simultaneous measurements of thermal conductivity and heat capacity with a…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
Elastocaloric cooling, which exploits the latent heat released and absorbed as stress-induced phase transformations are reversibly cycled in shape memory alloys, has recently emerged as a frontrunner in non-vapor-compression cooling…
Shape memory alloys like NiTi are at the core of emerging thermal management applications, including elastocaloric refrigeration, thermoelastic harvesting, and latent heat storage. Most of these applications benefit from a small scale due…
Concentrated solar power (CSP) plants utilize two-tank, sensible-heat thermal energy storage (TES) for uninterrupted electricity generation. However, the cost for the design and operation of TES is expensive. Therefore, researchers are…
New interatomic potentials describing defects, plasticity and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperature requires an efficient and accurate method to determine…
We explore the possibilities and limitations of using a coherent second phase to engineer the thermo-mechanical properties of a martensitic alloy by modifying the underlying free energy landscape that controls the transformation. We use…
Carbon nanotubes (CNTs) are quasi-1D nanostructures that display both high thermal conductivity and intriguing low-dimensional phonon transport phenomena. In comparison to the advances made in the theoretical calculation of the lattice…
The effect on the vibrational and thermal properties of gradually interconnected nanoinclusions embedded in an amorphous silicon matrix is studied using MD simulations. The nanoinclusion arrangement ranges from an aligned sphere array to an…
Loading an ultra-cold ensemble into a static magnetic trap involves unavoidable loss of phase space density when the gravitational energy dominates the kinetic energy of the ensemble. In such a case the gravitational energy is transformed…
We report new insights into the electronic, structural, and transport (heat and charge) properties of the phase-change memory material Ge2Sb2Te5. Using realistic structural models of Konstantinou et. al. [Nat. Commun. 10, 3065 (2019)], we…
Temperature strongly impacts battery performance, safety and durability, but modelling heat transfer requires accurately measured thermal properties. Herein we propose new approaches to characterise the heat capacity and anisotropic…
Most of the power-to-heat and thermal energy storage technologies are mature and impact the European energy transition. However, detailed models of these technologies are usually very complex, making it challenging to implement them in…
Present work reports on the observation of multiple magnetic transitions in a Ni-excess ferromagnetic shape memory alloy with nominal composition Ni$_{2.048}$Mn$_{1.312}$In$_{0.64}$. The magnetization data reveal two distinct thermal…
Concentrating solar power, particularly parabolic trough system with solar concentrations less than 50, requires spectrally selective solar absorbers that are thermally stable at high temperatures of 400degC above to achieve high…
As various property studies continue to emerge on high entropy and entropy-stabilized ceramics, we seek further understanding of property changes across the phase boundary between \enquote{high-entropy} and \enquote{entropy-stabilized}. The…
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are typically required. Circumventing the need for performing many…