The potential energy landscape of a flowing metallic glass is revealed using the activation-relaxation technique. For a two-dimensional Lennard-Jones system initially deformed into a steady-state condition through quasistatic shear, the distribution of activation energies is shown to contain a large fraction of low-energy barriers, consistent with a highly nonequilibrium flow state. The distrib...

We present a crossed molecular beam velocity-map ion imaging study of state-to-state rotational energy transfer of NO(A2Σ+, v = 0, N = 0, j = 0.5) in collisions with Ne atoms. From these measurements, we report differential cross sections and angle-resolved rotational angular momentum alignment moments for product states N' = 3 and 5-10 for collisions at an average energy of 523 cm-1, and N' = ...

High-strength low alloy steels (HSLA) have been designed to replace high-yield (HY) strength steels in naval applications involving impact loading as the latter, which contain more carbon, require complicated welding processes. The critical role of HSLA-100 steel requires achieving an accurate understanding of its behavior under dynamic loading. Accordingly, in this paper, we experimentally inv...

Vibration energy harvesting with piezoelectric materials currently generate up to 300 microwatts per cm2, using it to be mooted as an appropriate method of energy harvesting for powering low-power electronics. One of the important problems in bimorph piezoelectric energy harvesting is the generation of the highest power with the lowest weight. In this paper the effect of the shape and geometry ...

The infrared spectrum of mass-selected Na(+)-D(2) complexes is recorded in the D-D stretch vibration region (2915-2972 cm(-1)) by detecting Na(+) photofragments resulting from photo-excitation of the complexes. Analysis of the rotationally resolved spectrum confirms a T-shaped equilibrium geometry for the complex and a vibrationally averaged intermolecular bond length of 2.461 Å. The D-D stretc...

State-average complete active space self-consistent field (SA-CASSCF) calculations are performed on the energetically lowest two electronic states of a novel alkyl-substituted 4-quinopyran twisted pi-system electro-optic chromophore. In the gas phase, the ground-state electronic configuration is diradicaloid (D), and the first excited state is zwitterionic (Z). When an external dipolar field is...

Connectivity in the potential energy landscape of a binary Lennard-Jones system can be characterized at the level of cage-breaking. We calculate the number of cage-breaking routes from a given local minimum and determine the branching probabilities at different temperatures, along with correlation factors that represent the repeated reversals of cage-breaking events. The number of reversals inc...

For a system which undergoes electron or energy transfer in a polar solvent, we define the diabatic states to be the initial and final states of the system, before and after the nonequilibrium transfer process. We consider two models for the system-solvent interactions: A solvent which is linearly polarized in space and a solvent which responds linearly to the system. From these models, we deri...

[1] We quantify the energy dissipated to heat and to local disorder in a sheared layer of granular fault gouge. Local disorder is modeled using shear transformation zone theory, a continuum model of nonaffine deformation in amorphous solids that resolves spontaneous localization of strain. Strain localization decreases the total energy dissipated during slip. In addition, a fraction of this ene...