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We want to calculate probability distribution function of distance to the nearest neighbor (NN) particle. (The problem was first considered by Paul Hertz; [1] for a modern derivation see, e.g.,. [2]) Let us assume particles inside a sphere having volume , so that = /. Note that since the particles in the ideal gas are non-interacting, the ...
+ represents 1/<d>, where d is the average distance between two molecules. This equation assumes the upper limit of a diffusive collision frequency between A and B is when the first neighbor layer starts to feel the evolution of the concentration gradient, whose reaction order is 2 + 1 / 3 instead of 2. Both the Smoluchowski equation and ...
The log-spectral distance (LSD), also referred to as log-spectral distortion or root mean square log-spectral distance, is a distance measure between two spectra. [1] The log-spectral distance between spectra () and ^ is defined as p-norm:
In simplest terms it is a measure of the probability of finding a particle at a distance of away from a given reference particle, relative to that for an ideal gas. The general algorithm involves determining how many particles are within a distance of r {\displaystyle r} and r + d r {\displaystyle r+dr} away from a particle.
where δ i is the distance between atom i and either a reference structure or the mean position of the N equivalent atoms. This is often calculated for the backbone heavy atoms C, N, O, and C α or sometimes just the C α atoms. Normally a rigid superposition which minimizes the RMSD is performed, and this minimum is returned.
In fluid mechanics, displacement occurs when an object is largely immersed in a fluid, pushing it out of the way and taking its place. The volume of the fluid displaced can then be measured, and from this, the volume of the immersed object can be deduced: the volume of the immersed object will be exactly equal to the volume of the displaced fluid.
A single-displacement reaction, also known as single replacement reaction or exchange reaction, is an archaic concept in chemistry. It describes the stoichiometry of some chemical reactions in which one element or ligand is replaced by atom or group. [1] [2] [3] It can be represented generically as: + +
A displacement field is a vector field of all displacement vectors for all particles in the body, which relates the deformed configuration with the undeformed configuration. The distance between any two particles changes if and only if deformation has occurred. If displacement occurs without deformation, then it is a rigid-body displacement.
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