相关论文: cij: A Python code for quasiharmonic thermoelastic…
Lead-free ba0.85ca0.15zr0.1ti0.9o3 (bczt) ceramic powders were synthesized using the sol-gel method. to achieve high-energy storage and large electrocaloric effect in bulk ceramics the ceramics thickness was reduced. dielectric,…
Evaluation of global thermodynamic properties, such as the entropy or the free energy, of complex systems featuring a high degree of frustration or disorder is often desirable. Nevertheless, they cannot be measured directly in standard…
Total Body PET (TBPET) scanners have recently demonstrated the ability to significantly reduce both acquisition time and the administered radioactive dose, thanks to their increased sensitivity. However, their widespread adoption is limited…
The temperature anomalies in the Earth's mantle associated with thermal convection1 can be inferred from seismic tomography, provided that the elastic properties of mantle minerals are known as a function of temperature at mantle pressures.…
This study uses plasma-profile data from the EUROfusion pedestal database, focusing on the electron-temperature and electron-density profiles in the edge region of H-mode ELMy JET ITER-Like-Wall (ILW) pulses. We make systematic predictions…
Superconductivity is a remarkable phenomenon in condensed matter physics, which comprises a fascinating array of properties expected to revolutionize energy-related technologies and pertinent fundamental research. However, the field faces…
We report on the development of the thallium-doped cesium iodide (CsI:Tl) calorimeter subsystem for the All-Sky Medium-Energy Gamma-ray Observatory (AMEGO) [1]. The CsI:Tl calorimeter is one of the three main subsystems that comprise the…
In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…
Understanding and simulating the thermodynamic and dynamical properties of materials affected by strong ionic anharmonicity is a central challenge in material science. Much interest is in material displaying critical displacive behaviour,…
The Quasi-harmonic Approximation (QHA) is a widely used method for calculating the temperature dependence of lattice parameters and the thermal expansion coefficients from first principles. However, applying QHA to anisotropic systems…
We present a detailed study of the applications of two stochastic approaches, stochastic optimization method (SOM) and stochastic analytical inference (SAI), to extract spectral functions from Euclidean correlation functions. SOM has the…
We present a fast and exact method for computing CMB mode-coupling matrices based on an optimised evaluation of Wigner-3j symbols. The method exploits analytic structure in the relevant Wigner-3j symbol configurations appearing in…
The Cryo-EM 3D particle reconstruction is essential for identifying protein and uncover the biological mechanism of the macro-molecules. In this paper, we use Kam method for reconstruction. Kam method is \textit{ab-initio}, and it assumes…
The relative stability of three-dimensional icosahedral quasicrystals in multi-component systems has been investigated based on a coupled-mode Swift-Hohenberg model with two-length-scales. A recently developed projection method, which…
The reliable calculation of electronic structures and understanding of electrical properties depends on an accurate model of the crystal structure. Here, we have reinvestigated the crystal structure of the high-zT thermoelectric material…
We introduce PyCrystalField, a Python software package for calculating single-ion crystal electric field (CEF) Hamiltonians. This software can calculate a CEF Hamiltonian \textit{ab initio} from a point charge model for any transition or…
In this paper, we develop an accurate and efficient framework for computing subwavelength guided modes in high-contrast periodic media with line defects, based on a tight-binding approximation. The physical problem is formulated as an…
Positive temperature coefficient (PTC) materials are extensively utilized in self-regulating temperature applications. Nonetheless, their applicability is typically constrained to low-temperature ranges, rendering them ineffective in medium…
An investigation of U2Ti, a potentially safe and heavy metal-based storage material for radioactive tritium for fusion reactor, has been performed using pseudopotential density functional theory. The analysis of the elastic constants and…
An elastic-visco-plastic thermomechanical model for the simulation of cold forming and subsequent sintering of ceramic powders is introduced and based on micromechanical modelling of the compaction process of granulates. Micromechanics…