Simulations on infinite-size lattices

H G Evertz1, W von der Linden

  • 1Institut für Theoretische Physik, Technische Universität Graz, 8010 Graz, Austria.

Related Concept Videos

Trends in Lattice Energy: Ion Size and Charge02:54

Trends in Lattice Energy: Ion Size and Charge

An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
Lattice Energies of Ionic Crystals01:27

Lattice Energies of Ionic Crystals

Lattice energy represents the energy released when gaseous cations and anions combine to form an ionic solid, reflecting the strength of electrostatic interactions within the crystal. This process is fundamentally governed by Coulombic attraction between oppositely charged ions, where the potential energy varies inversely with the interionic distance and directly with the product of ionic charges. As ions approach one another, the electrostatic energy becomes increasingly negative, indicating a...
Bewley Lattice Diagram01:12

Bewley Lattice Diagram

The Bewley lattice diagram, developed by L. V. Bewley, effectively organizes the reflections occurring during transmission-line transients. It visually represents how voltage waves propagate and reflect within a transmission line, making it easier to understand the complex interactions that occur.
Limits at Infinity01:24

Limits at Infinity

The function that decreases as the input becomes very large provides a clear example of how mathematical functions can behave at extreme values. When the input increases continuously, the output becomes smaller and smaller, getting closer to a particular fixed value. Although the output never actually reaches this value, it moves nearer to it without limit. This behavior is a fundamental concept in understanding how functions behave as the input grows indefinitely. The graphical representation...
Improper Integrals: Infinite Intervals01:29

Improper Integrals: Infinite Intervals

An integral is classified as improper due to an infinite interval when at least one of its limits of integration extends to positive or negative infinity. In such cases, the region under the curve is unbounded, and standard techniques for evaluating definite integrals are not directly applicable. Instead, the improper integral is defined through a limiting process that allows one to determine whether the accumulated area remains finite despite the infinite domain.Application to Exponential...