In a fusion reaction two light nuclei, Deuterium and Tritium merge to form single heavier nucleus Helium. However, positive nuclei repel each other. order they need have very high velocities. High speed means, temperature. For the it is significant for keep at 100 million °C At this temperature D T atoms plasma. take place, plasma must be conserved or should not cooled. Tokamak reactors are des...

Using molecular dynamics simulation, we studied thermodynamic effects of a nanobubble's collapse-induced erosion occurring at different ambient temperatures. We analyzed the single nanobubble collapsing near an aluminum (Al) solid boundary immersed in water temperatures ranging 10–60 °C (283–333 K). used momentum mirror protocol to investigate shock wave as associated nanojet formed and moved t...

abstract: in this paper, the results of experimental and numerical simulation of low velocity impact process have been carried out to investigate energy absorption of composite sandwich panels with 3d woven fabrics of glass fibers and epoxy resin. for this purpose, diagrams of force-displacement of the quasi-static and quasi-dynamic impact tests were studied. for the finite element simulation, ...

a two-dimensional single particle finite element model was used to examine the effects of particle fragmental pattern on the average molecular weights, polymerization rate and particle overheating in heterogeneous ziegler-natta olefin polymerization. a two-site catalyst kinetic mechanism was employed together with a dynamic two-dimensional molecular species in diffusion-reaction equation. the i...

in this study the operations of melting of au15ag40 nanoalloy have been studied using the molecular dynamic simulations through the gupta multiparticle potential and the nonergodicity of simulations is eliminated by the multiple histogram method. the melting characteristics are determined by the analysis of variations in the potential energy. the calculations indicate that the melting of au15ag...

this study aims to design some dual-target anticancer candidates, capable to act as an alkylating agent as well as a thymidylate synthase (ts) inhibitor. the designed scaffold is a combination of nucleobase, amino acid and aziridine structures. the candidates are docked into ts and three dna double strand structures and evaluated based on their binding interaction energies and ligand efficienci...

in this work, a molecular dynamics simulation of the transport of water - methanol mixture through the single wall carbon nanotube (swcnt) is reported. methanol and water are selected as fluid molecules since water represents a strongly polar molecule while methanol is as an intermediate between polar and strongly polar molecules. some physical properties of the methanol-water mixture such as r...

medicinal chemistry depends on many other disciplines ranging from organic chemistry andpharmacology to computational chemistry. typically medicinal chemists use the moststraightforward ways to prepare compounds. the validation of any design project comes from thebiological testing.studies of the binding site of vinblastine by a single cross—linking experiment identified it asbeing between resi...

molecular dynamics simulation has been performed to analyze the effect of the presence of gold nanoparticle on dynamics of kob-anderson binary lennard-jones (blj) mixture upon supercooling within the framework of the mode coupling theory of the dynamic glass transition. the presence of gold nanoparticle has a direct effect on the liquid structure and causes the peaks of the radial distribution ...