Increasing power densities and decreasing transistor dimensions are hallmarks of modern
computer chips. Both trends are increasing the thermal management challenge within the …

We compare the results of equilibrium and nonequilibrium methods to compute thermal
conductivity. Using Sillinger-Weber silicon as a model system, we address issues related to …

We directly observe phonon wave packets of well-defined frequency and polarization scattering
at a coherent semiconductor interface using molecular-dynamics simulations. We find …

We use a nonequilibrium molecular-dynamics method to compute the Kapitza resistance of
three twist grain boundaries in silicon, which we find to increase significantly with increasing …

During the last decade, our knowledge about the syn-thesis, target tissues and actions of
angiotensin II has increased considerably. Local generation and paracrine or autocrine action …

Using an empirical bond-order potential, molecular dynamics (MD) simulations, and lattice
dynamics calculations, we study the thermal expansion of diamond, graphite and single-…

We use nonequilibrium molecular dynamics simulation to elucidate the interfacial thermal
conductance between single-crystal silicon and amorphous polyethylene. In particular, we …

We present a new interatomic potential capable of describing the cubic and tetragonal
phases of zirconia. From an analysis of molecular‐dynamics simulations of the structural …

Although diamond has the highest known room temperature thermal conductivity, k∼ 2200
W∕ m K⁠, highly sp 3 amorphous carbon films have k< 15 W∕ m K⁠. We carry out an …

… Details of this method have been given elsewhere (Schelling et al. Citation2001). The
simulation errors were determined from the variation in the computed value of κ for smaller …