نتایج جستجو برای: lennard jones potential
تعداد نتایج: 1081724 فیلتر نتایج به سال:
Main problem for Mycobacterium tuberculosis growth is time. This study evaluates the performance of Bact/Alert 3D system for isolates and identification of mycobacteria. 100 clinical specimens from the chest and tuberculosis department were included. All were positive by Lowenstein Jensen (LJ) media in different time. All samples were also tested by Bact/ALERT 3D system for time management stud...
Presented is an improved model for the prediction of phase equilibria and cage occupancy of CH4 and CO2 hydrate in aqueous systems. Different from most hydrate models that employ Kihara potential or Lennard-Jones potential with parameters derived from experimental phase equilibrium data of hydrates, we use atomic site-site potentials to account for the angle-dependent molecular interactions wit...
Using the inherent structure formalism originally proposed by Stillinger and Weber @Phys. Rev. A 25, 978 ~1982!#, we generalize the thermodynamics of an energy landscape that has an ideal glass transition and derive the consequences for its equation of state. In doing so, we identify a separation of configurational and vibrational contributions to the pressure that corresponds with simulation s...
A model for soliton dynamics on a hydrogen-bond network in helical proteins is proposed. It employs in three dimensions the formalism of fully integrable Toda lattices which admits phonons as well as solitons along the hydrogen-bonds of the helices. A simulation of the three dimensional Toda lattice system shows that the solitons are spontaneously created and are stable and moving along the hel...
We discuss the possibility of implementing asynchronous replica-exchange (or parallel tempering) molecular dynamics. In our scheme, the exchange attempts are driven by asynchronous messages sent by one of the computing nodes, so that different replicas are allowed to perform a different number of time-steps between subsequent attempts. The implementation is simple and based on the message-passi...
We study the Brownian dynamics of flexible and semiflexible polymer chains densely grafted on a flat substrate, upon rapid quenching of the system when the quality of solvent becomes poor and chains attempt collapse into a globular state. The collapse process of such a polymer brush differs from individual chains, both in its kinetics and its structural morphology. We find that the resulting co...
Molecular configurations which count as snapshots of a quasi-bound cluster are identified through a retrospective dynamical definition. The trajectory of a molecular cluster is followed, and a clear evaporation event is considered to have occurred when a molecule moves a very long distance away from the others. The cluster is judged to have broken before this condition is satisfied, however, at...
Figure 1: Photographs of constructs (Bar =5mm) and % area change of collagen menisci with time. # Significance between 10 & 20mg/ml (p<0.05) Figure 2: ECM content and equilibrium modulus. Significance compared to *0 week, +alginate, $ 2nd week, % bracket groups. (p<0.05) Injection Molded High Density Type I Collagen Gels for Meniscus Tissue Engineering Puetzer, JL; +Bonassar, LJ +Cornell Univer...
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