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Heat Transfer Physics
Heat transfer physics describes the kinetics of energy storage, transport, and energy transformation by principal energy carriers: phonons (lattice vibration waves), electrons, fluid particles, and photons. Heat is thermal energy stored in temperature-dependent motion of particles including electrons, atomic nuclei, individual atoms, and molecules. Heat is transferred to and from matter by the principal energy carriers. The state of energy stored within matter, or transported by the carriers, is described by a combination of classical and quantum statistical mechanics. The energy is different made (converted) among various carriers. The heat transfer processes (or kinetics) are governed by the rates at which various related physical phenomena occur, such as (for example) the rate of particle collisions in classical mechanics. These various states and kinetics determine the heat transfer, i.e., the net rate of energy storage or transport. Governing these process from the atomic leve ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
Energy Storage
Energy storage is the capture of energy produced at one time for use at a later time to reduce imbalances between energy demand and energy production. A device that stores energy is generally called an Accumulator (energy), accumulator or Battery (electricity), battery. Energy comes in multiple forms including radiation, chemical energy, chemical, gravitational potential energy, gravitational potential, Electric potential energy, electrical potential, electricity, elevated temperature, latent heat and kinetic energy, kinetic. Energy storage involves converting energy from forms that are difficult to store to more conveniently or economically storable forms. Some technologies provide short-term energy storage, while others can endure for much longer. Bulk energy storage is currently dominated by hydroelectric dams, both conventional as well as pumped. Grid energy storage is a collection of methods used for energy storage on a large scale within an electrical power grid. Common e ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
Specific Heat Capacity
In thermodynamics, the specific heat capacity (symbol ) of a substance is the amount of heat that must be added to one unit of mass of the substance in order to cause an increase of one unit in temperature. It is also referred to as massic heat capacity or as the specific heat. More formally it is the heat capacity of a sample of the substance divided by the mass of the sample. The SI unit of specific heat capacity is joule per kelvin per kilogram, J⋅kg−1⋅K−1. For example, the heat required to raise the temperature of of water by is , so the specific heat capacity of water is . Specific heat capacity often varies with temperature, and is different for each state of matter. Liquid water has one of the highest specific heat capacities among common substances, about at 20 °C; but that of ice, just below 0 °C, is only . The specific heat capacities of iron, granite, and hydrogen gas are about 449 J⋅kg−1⋅K−1, 790 J⋅kg−1⋅K−1, and 143 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
Quantum ESPRESSO
Quantum ESPRESSO (Quantum Open-Source Package for Research in Electronic Structure, Simulation, and Optimization; QE) is a suite for first-principles electronic-structure calculations and materials modeling, distributed for free and as free software under the GNU General Public License. It is based on density functional theory (DFT), plane wave basis sets, and pseudopotentials (both norm-conserving and ultrasoft). The core plane wave DFT functions of QE are provided by the PWscf component (PWscf previously existed as an independent project). PWscf (Plane-Wave Self-Consistent Field) is a set of programs for electronic structure calculations within DFT and density functional perturbation theory, using plane wave basis sets and pseudopotentials. The software is released under the GNU General Public License. The latest stable version QE-7.4.1 was released on 14 March 2025. Quantum ESPRESSO Project Quantum ESPRESSO is an open initiative of the CNR-IOM DEMOCRITOS National Simula ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
Q-Chem
Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on various computer architectures, from laptops and regular lab workstations to midsize clusters, HPCC, and Cloud Computing, cloud computing using density functional theory, density functional and wave-function based approaches. It offers an integrated graphical interface and input generator; a large selection of functionals and correlation methods, including methods for electronically excited states and open-shell systems; solvation models; and wave-function analysis tools. In addition to serving the computational chemistry community, Q-Chem also provides a versatile code development platform. History Q-Chem software is maintained and distributed by Q-Chem, Inc., located in Pleasanton, California, USA. It was founded in 1993 as a result of disagreements within the Gaussian (software), Gau ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
Gaussian (software)
Gaussian is a general purpose computational chemistry software package initially released in 1970 by John Pople and his research group at Carnegie Mellon University as Gaussian 70. It has been continuously updated since then. The name originates from Pople's use of Gaussian orbitals to speed up molecular electronic structure calculations as opposed to using Slater-type orbitals, a choice made to improve performance on the limited computing capacities of then-current computer hardware for Hartree–Fock calculations. The current version of the program is Gaussian 16. Originally available through the Quantum Chemistry Program Exchange, it was later licensed out of Carnegie Mellon University, and since 1987 has been developed and licensed by Gaussian, Inc. Standard abilities According to the most recent Gaussian manual, the package can do: *Molecular mechanics **AMBER ** Universal force field (UFF) **DREIDING force field *Semi-empirical quantum chemistry method calculations **Aus ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
CASTEP
CASTEP is a shared-source academic and commercial software package which uses density functional theory with a plane wave basis set to calculate the electronic properties of crystalline solids, surfaces, molecules, liquids and amorphous materials from first principles. CASTEP permits geometry optimisation and finite temperature molecular dynamics with implicit symmetry and geometry constraints, as well as calculation of a wide variety of derived properties of the electronic configuration. Although CASTEP was originally a serial, Fortran 77-based program, it was completely redesigned and rewritten from 1999 to 2001 using Fortran 95 and MPI for use on parallel computers by researchers at the Universities of York, Durham, St. Andrews, Cambridge and Rutherford Labs. History CASTEP was created in the late 1980s and early 1990s in the TCM Group of the Cavendish Laboratory in Cambridge. It was then an academic code written in Fortran77, and the name was originally derived from CAm ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
ABINIT
ABINIT is an open-source suite of programs for materials science, distributed under the GNU General Public License. ABINIT implements density functional theory, using a plane wave basis set and pseudopotentials, to compute the electronic density and derived properties of materials ranging from molecules to surfaces to solids. It is developed collaboratively by researchers throughout the world. A web-based easy-to-use graphical version, which includes access to a limited set of ABINIT's full functionality, is available for free use through the nanohub. The latest version 9.10.3 was released on June 24, 2023. Overview ABINIT implements density functional theory by solving the Kohn–Sham equations describing the electrons in a material, expanded in a plane wave basis set and using a self-consistent conjugate gradient method to determine the energy minimum. Computational efficiency is achieved through the use of fast Fourier transforms, and pseudopotentials to describe core electron ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
Fermi Golden Rule
Enrico Fermi (; 29 September 1901 – 28 November 1954) was an Italian and naturalized American physicist, renowned for being the creator of the world's first artificial nuclear reactor, the Chicago Pile-1, and a member of the Manhattan Project. He has been called the "architect of the nuclear age" and the "architect of the atomic bomb". He was one of very few physicists to excel in both theoretical and experimental physics. Fermi was awarded the 1938 Nobel Prize in Physics for his work on induced radioactivity by neutron bombardment and for the discovery of transuranium elements. With his colleagues, Fermi filed several patents related to the use of nuclear power, all of which were taken over by the US government. He made significant contributions to the development of statistical mechanics, quantum theory, and nuclear and particle physics. Fermi's first major contribution involved the field of statistical mechanics. After Wolfgang Pauli formulated his exclusion principle in ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
