نتایج جستجو برای: stacking mechanism
تعداد نتایج: 578298 فیلتر نتایج به سال:
Amorphous alloys show interesting mechanical properties as well unique physical and chemical due to their atomic stacking structure. However, when partial crystallization occurs in amorphous alloys, it can impact the of original alloy. To study phenomenon Zr-based alloy, a three-dimensional alloy atomic-stacking model was established by molecular dynamics simulations, structure evolution Zr-Cu ...
We present an atomistic description of the fcc-to-hcp transformation mechanism in solid argon (Ar) obtained from transition path sampling molecular dynamics simulation. The phase transition pathways collected during the sampling for an 8000-particle system reveal three transition types according to the lattice deformation and relaxation details. In all three transition types, we see a critical ...
Molecular/theoretical modeling studies have revealed that thyroid hormones and toxic chlorinated aromatic hydrocarbons of environmental significance (for which dioxin or TCDD is the prototype) have similar structural properties that could be important in molecular recognition in biochemical systems. These molecular properties include a somewhat rigid, sterically accessible and polarizable aroma...
Rapid growth of modern technologies such as internet and mobile computing are bringing dramatically increased e-commerce payments, as well as the explosion in transaction fraud. Meanwhile, fraudsters are continually refining their tricks, making rule-based fraud detection systems difficult to handle the ever-changing fraud patterns. Many data mining and artificial intelligence methods have been...
The formation mechanism considers fivefold deformation twins originating from the grain boundaries in a nanocrystalline material, resulting in that fivefold deformation twins derived from a single crystal have not been reported by molecular dynamics simulations. In this study, fivefold deformation twins are observed in a single crystal of face-centered cubic (fcc) alloy. A new formation mechani...
Recently, Sloane suggested the following problem: We are given n boxes, labeled 1, 2, . . . , n. For i = 1, . . . , n, box i weighs (m − 1)i grams (where m ≥ 2 is a fixed integer) and box i can support a total weight of i grams. What is the number of different ways to build a single stack of boxes in which no box will be squashed by the weight of the boxes above it? Prior to this generalized pr...
Targeting and invading double-stranded DNA with synthetic oligonucleotides under physiological conditions remain a challenge. Bis-locked nucleic acids (bisLNAs) are clamp-forming oligonucleotides able to invade into supercoiled DNA via combined Hoogsteen and Watson-Crick binding. To improve the bisLNA design, we investigated its mechanism of binding. Our results suggest that bisLNAs bind via Ho...
Small oligomers formed early along human islet amyloid polypeptide (hIAPP) aggregation is responsible for the cell death in Type II diabetes. The epigallocatechin gallate (EGCG), a green tea extract, was found to inhibit hIAPP fibrillation. However, the inhibition mechanism and the conformational distribution of the smallest hIAPP oligomer - dimer are mostly unknown. Herein, we performed extens...
The previous work of Professor W. G. Burgers and Dr. A. J. Bogers is used to develop a mechanism of strain-induced martensitic nucleation, involving two intersecting shear systems. We distinguish between strain-induced nucleation and stressassisted nucleation, the latter involving the same sites and embryos as does the regular spontaneous transformation. The strain-induced nucleation, on the ot...
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