相关论文: Development and Characterization of a Novel BaTiO3…
The magnetic properties of a material are determined by a subtle balance between the various interactions at play, a fact that makes the design of new magnets a daunting task. High-throughput electronic structure theory may help to explore…
Polyurethane (PU) is an ideal thermal insulation material due to its excellent thermal properties. The incorporation of Phase Change Materials (PCMs) capsules into Polyurethane (PU) has been shown to be effective in building envelopes. This…
The electrocaloric effect (ECE) in BaTiO3 is simulated using two different first-principles based effective Hamiltonian molecular dynamics methods. The calculations are performed for a wide range of temperatures (30--900 K) and external…
We determine from first-principles the Curie temperature Tc for bulk Co in the hcp, fcc, bcc, and tetragonalized bct phases, for FeCo alloys, and for bcc and bct Fe. For bcc-Co, Tc=1420 K is predicted. This would be the highest Curie…
The pursuit of enhanced nuclear safety has spurred the development of accident-tolerant cladding (ATC) materials for light water reactors (LWRs). This study investigates the potential of repurposing these ATCs in advanced reactor designs,…
Ba7Ir3O13+{\delta} in thin film form is discovered. These films are characterized by colossal permittivity (CP) ~104 at room temperature, attributable to the colossal internal barrier layer capacitance effect at atomically thin domain…
A semiclassical approach that incorporates quantum mechanical behavior of heat capacity in direct caloric effect simulations is proposed. Application of this methodology to study electrocaloric effect in prototypical ferroelectrics ${ \rm…
Magnetic materials have a plethora of applications ranging from informatics to energy harvesting and conversion. However, such functionalities are limited by the magnetic ordering temperature. In this work, we performed machine learning on…
Next generation quantum technologies will need to rely on efficient transduction between electrical, optical, and mechanical quantum degrees of freedom to generate large-scale entanglement over large distances. The performance of such…
Perovskite-based optoelectronic devices have shown great promise for solar conversion and other optoelectronic applications, but their long-term performance instability is regarded as a major obstacle to their widespread deployment.…
Two-color (2C) pyrometry has long been used for flame temperature and soot concentration studies and is now becoming more widely used to measure surface temperatures of burning materials. With the obvious advantage of being a contact-free…
The stoichiometric antiferromagnetic insulator EuTiO$_3$ is proximate to a ferroelectric phase. Whereas cation substitution has been used as a tuning parameter to introduce charge carriers and manipulate the magnetism, the effects of…
The structure and magnetic properties of nanocrystalline PrCo$_3$ obtained from high energy milling technique are investigated by X-ray diffraction, Curie temperature determination and magnetic properties measurements are reported. The…
Atom probe tomography has been raising in prominence as a microscopy and microanalysis technique to gain sub-nanoscale information from technologically-relevant materials. However, the analysis of some functional ceramics, particularly…
With the ever-growing need to reduce energy consumption, building materials that passively heat or cool are gaining importance. However, many buildings require both heating and cooling, even within the same day. To date, few technologies…
The effect of Sr doping in BaTiO3 (BTO) with nominal compositions Ba0.80Sr0.20TiO3 (BSTO) have been explored in its structural, lattice vibration, dielectric, ferroelectric and electrocaloric properties. The temperature dependent dielectric…
Transition metal oxides have been attracted much attention in thermoelectric community from the last few decades. In the present work, we have synthesized LaNiO$_{3}$ by a simple solution combustion process. To analyze the crystal structure…
Magnetic cooling based on the magnetocaloric effect is a promising solid-state refrigeration technology for a wide range of applications in different temperature ranges. Previous studies have mostly focused on near room temperature (300 K)…
As demand rises for flexible electronics, traditionally prepared sintered ceramic sensors must be transformed into fully new sensor materials that can bend and flex in use and integration. Negative temperature coefficient of resistance…
Synthesis is a major challenge in the discovery of new inorganic materials. Currently, there is limited theoretical guidance for identifying optimal solid-state synthesis procedures. We introduce two selectivity metrics, primary and…