We put forward a simple procedure for extracting dynamical information from Monte Carlo simulations, by appropriate matching of the short-time diffusion tensor with its infinite-dilution limit counterpart, which is supposed to be known. This approach--discarding hydrodynamics interactions--first allows us to improve the efficiency of previous dynamic Monte Carlo algorithms for spherical Brownia...

We calculate first-principles interaction energies between substitutional solutes and oxygen interstitials in a-titanium and predict the effect of solutes on oxygen diffusion from those interactions. Interaction between 45 solutes across the periodic table and three oxygen interstitial sites are calculated with density-functional theory. The interaction energies show distinct trends across the ...

the concept of “infinite essence” that is both philosophically and theologically important, has passed many different evolutions in western history of thought. presocratics has evaluated it in two different ways. anaximender and melissus agree that the principle substance is infinite and divine, but neither absolutly transcendent nor anthropomorphic. the infinite is the fusis in its substantial...