Composition comprising a three-dimensional amorphous trivalent network
A composition, amorphous technology, applied in the field of compositions comprising trivalent networks, compositions of amorphous trivalent networks, structural coloring materials and/or band gap materials
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example 1
[0177] Example 1: Amorphous Material Simulation
[0178] background
[0179] Interest in amorphous materials dates back to Zachariesen's 1932 paper (Zachariasen, 1932). He seeks to understand SiO 2 and other vitreous (collectively referred to as glass) oxide structures. Currently, glasses are considered to be a subset of amorphous materials that undergo a glass transition—a radical change in elastic properties from viscous to solid—on cooling.
[0180] Zachariesen's paper proposed a continuous random network (CRN) model of what became known as an amorphous material. This suggests an amorphous structure like solid SiO 2 Consists of atoms that all meet the atomic bonding requirements in a structure that does not have crystallographic translational symmetry. The structure is locally well ordered by SiO sharing corners 4 Tetrahedral organization, but with small local distortions to bond angles and bond lengths, giving rise to a large-scale amorphous structure.
[0181] So...
example 2
[0226] Example 2: Generation and characterization of a-trimene structures
[0227] method
[0228] The inventors wished to generate an amorphous trivalent network. Trivalent crystals are composed of a plurality of trihedrons. The trihedral crystal structure (in image 3 Shown in a) is a planar geometry composed of four vertices and three transverse elements. Its central vertex (A) is connected to three outer vertices (B, C, and D) by transverse elements. All transverse elements have an angle of 120° and all transverse elements have the same length.
[0229] The third parameter is the skew angle of the trihedron, which measures the degree to which the four vertices are coplanar. It should be understood that three points in space necessarily form a plane. Thus, the central vertex (A) forms a plane with two of the other vertices (B and C), and the skew angle is defined as the angle between the normal to the plane ABC and the bond A→D. Thus, a trihedron has three measura...
example 3
[0251] Example 3: Generation and Characterization of a-Triamond Structures
[0252] method
[0253] It is not clear whether continued annealing of the a-trimene samples obtained in Example 2 using the Keating potential would lead to structures with larger triamond-like local geometries. It is possible that larger orders of magnitude bond transpositions / points (such as those achieved by Vink and Barkema (Vink, 2001) and Hejna (Hejna, 2013)) could yield the desired local geometry; this is certainly the case in amorphous diamond The case in , where the amorphous structure produces a clear signature of the diamond dihedral angle using only the Keating potential.
[0254] To increase the pressure driving the structure to a triamond-like geometry, the inventors introduced a new triamond potential that takes into account third-order particle interactions. This is defined as:
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[0256] in
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[0258] and
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[0260] The inventors added two more te...
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Abstract
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