Advances in computational studies of energy materials

C R A Catlow1, Z X Guo, M Miskufova

  • 1Department of Chemistry, Materials Chemistry, 3rd Floor, Kathleen Lonsdale Building, University College London, , Gower Street, London WC1E 6BT, UK. c.r.a.catlow@ucl.ac.uk

Related Concept Videos

Conservation of Energy: Application01:12

Conservation of Energy: Application

When solving problems using the energy conservation law, the object (system) to be studied should first be identified. Often, in applications of energy conservation, we study more than one body at the same time. Second, identify all forces acting on the object and determine whether each force doing work is conservative. If a non-conservative force (e.g., friction) is doing work, then mechanical energy is not conserved. The system must then be analyzed with non-conservative work. Third, for...
Potential-Energy Criterion for Equilibrium01:16

Potential-Energy Criterion for Equilibrium

Potential energy or potential function plays an essential role in determining the stability of a mechanical system. If a system is subjected to both gravitational and elastic forces, the potential function of the system can be expressed as the algebraic sum of gravitational and elastic potential energy. If the system is in equilibrium and is displaced by a small amount, then the work done on the system equals the negative of the change in the system's potential energy from the initial to the...
Energy Conservation and Bernoulli's Equation01:16

Energy Conservation and Bernoulli's Equation

Applying the conservation of energy principle or the work-energy theorem to an incompressible, inviscid fluid in laminar, steady, irrotational flow leads to Bernoulli's equation. It states that the sum of the fluid pressure, potential, and kinetic energy per unit volume is constant along a streamline.
All the terms in the equation have the dimension of energy per unit volume. The kinetic energy per unit volume is called the kinetic energy density, and the potential energy per unit volume is...
Strain Energy01:13

Strain Energy

Strain energy is a fundamental concept in the field of materials science and structural engineering, describing the energy absorbed by a material or structure when it is deformed under load.
Consider a rod that is fixed at one end and subjected to an axial force at the free end. This axial force induces stress within the rod, leading to its elongation. As the axial force increases, so does the elongation of the rod, illustrating a direct relationship between the force applied and the resulting...
Mechanisms of Heat Transfer II01:20

Mechanisms of Heat Transfer II

In convection, thermal energy is carried by the large-scale flow of matter. Ocean currents and large-scale atmospheric circulation, which result from the buoyancy of warm air and water, transfer hot air from the tropics toward the poles and cold air from the poles toward the tropics. The Earth’s rotation interacts with those flows, causing the observed eastward flow of air in the temperate zones. Convection dominates heat transfer by air, and the amount of available space for the airflow...
Energy Bands in Solids01:01

Energy Bands in Solids

Isolated atoms have discrete energy levels that are well described by the Bohr model. And, it quantifies the energy of an electron in a hydrogen atom as En. Higher quantum numbers 'n' yield less negative, closer electron energy levels.
 Band Formation:
When atoms are brought close together, as in a solid, these discrete energy levels begin to split due to the overlap of electron orbitals from adjacent atoms. This split occurs because of the Pauli exclusion principle, which states that no two...