This symmetry allows atoms in the original crystal to be matched with atoms in adjacent cells of the predicted crystal, effectively aligning coordinates such as (0,0,0) in one structure with (1,1,1) in the other when the distance is zero. Finally, the Greedy Algorithm is employed to ...
In DADOS, each defect atom is represented by a point, with coordinates (x, y, z) and a common interaction radius, in a 3D simulation box. It is, therefore, very easy to build any type of defect by either the transformation of existing point defects or by agglomerating jumping point de...
coordinates variation with beam movementEBSDinterplanar angle calculationpattern indexscreen moving methodsource pointAn electron backscatter diffraction device is an important accessory for a scanning electron microscope and can provide crystal structure, orientation, and phase content data through analysis of ...
Following the nearest neighbour distortion, random perturbations are applied to the coordinatesrof all atomsNin the supercell. This aids in escaping from any metastable symmetry trapping and locate small, symmetry-breaking distortions (i.e., nearby lower energy basins). This step has proven useful in...
[c]oncept of a material point:* a bodily object which—as regards its position and motion—can be described with sufficient exactness as a point with coordinates X1, X2, X3[, its motion being described] by giving X1, X2, X3, as functions of the time. (p. 358) * By 'material poin...
The momentum space coordinates, energy, and chirality of the 37 WPs are listed in Supplementary Table 1. To better visualize the locations of the WPs, we divide the 36 WPs into 6 groups. Each group contains two WP1 and four WP2 points near one face of the cubic BZ (Fig. 4a). By ...
Let $$g_t$$ be a loop in the space of monic complex polynomials in one variable of fixed degree n. If the roots of $$g_t$$ are distinct for all t, they for
which were fed into trRosetta [31] to obtain the complete prediction of the antibody variable fragments (Fv) structure while suffering from a time-consuming optimization process. To address this problem, IgFold [32] achieved a fast and direct prediction of antibody skeletal atomic coordinates based...
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The input elements in an activation operand may have the same (X, Y) coordinates, which may be used as the XY coordinates of the activation operand. For instance, all the input elements of an activation operand may be X0Y0, X0Y1, X1Y1, etc. An embodiment of the input register files...