نتایج جستجو برای: nucleation mechanism
تعداد نتایج: 581176 فیلتر نتایج به سال:
Using static atomistic simulations, we study the full details of the mechanism by which dislocations homogeneously nucleate beneath the surface of a initially defect-free crystal during indentation. The mechanism involves the collective motion of a finite disk of atoms over two adjacent slip planes, the diameter of which depends on the indenter size. The nucleation mechanism highlights the need...
We investigate the structures of the major folding transition states of nine proteins by correlation of published Phi-values with inter-residue contact maps. Combined with previous studies on six proteins, the analysis suggests that at least 10 of the 15 small globular proteins fold via a nucleation-condensation mechanism with a concurrent build-up of secondary and tertiary structure contacts, ...
We propose very general vortex nucleation mechanismss1] analogous to a hydrodynamic instability and calculate associated critical velocity in agreement with experiments. The creation of vortices via extrinsic mechanism is driven by a formation of the surface vorticity sheet created by the ow, which reaches a critical size. Such a sheet screens an attraction of a half-vortex ring to the wall, th...
We present a molecular dynamics simulation study of crystal nucleation from undercooled melts of n-alkanes, and we identify the molecular mechanism of homogeneous crystal nucleation under quiescent conditions and under shear flow. We compare results for n-eicosane (C20) and n-pentacontahectane (C150), i.e., one system below the entanglement length and one above, at 20%-30% undercooling. Under q...
Measurements show that new particles are formed by homogenous nucleation over a wide range of conditions in the remote troposphere. In our studies, large nucleation events are found exclusively in regions of enhanced sulfuric acid vapor (H2SO4g) concentrations, with maximum concentrations never exceeding 5x107 molecules cm '3. Although these data suggest that H2SO4g participated, comparisons be...
We use the kinetic theory of nucleation to explore the properties of dust nucleation in sub-saturated vapors. Due to radiation losses, the sub-critical clusters have a smaller temperature compared to their vapor. This alters the dynamical balance between attachment and detachment of monomers, allowing for stable nucleation of grains in vapors that are sub-saturated for their temperature. We fin...
Nucleation from solution is a ubiquitous process that plays important roles in physics, chemistry, engineering, and material science. Despite its importance, nucleation is far from being completely understood. In this work (pp. E6–E14), we combine advanced molecular-dynamics simulation techniques and theory to provide a description of urea nucleation from aqueous solution. In particular, our an...
We propose very general vortex nucleation mechanisms[1] analogous to a hydrodynamic instability and calculate associated critical velocity in agreement with experiments. The creation of vortices via extrinsic mechanism is driven by a formation of the surface vorticity sheet created by the flow, which reaches a critical size. Such a sheet screens an attraction of a half-vortex ring to the wall, ...
For the vast majority of naturally occurring, small, single domain proteins folding is often described as a two-state process that lacks detectable intermediates. This observation has often been rationalized on the basis of a nucleation mechanism for protein folding whose basic premise is the idea that after completion of a specific set of contacts forming the so-called folding nucleus the nati...
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