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Density functional theory is used by many researchers funded by the Department of Energy as a method for predicting the behavior of chemicals and materials used in energy applications. However, results of these calculations are often not standardized and, even when they are, expert-level understand of the methods is needed in order to properly perform a simulation. The energy research community a ...

Density functional theory is used by many researchers funded by the Department of Energy as a method for predicting the behavior of chemicals and materials used in energy applications. However, results of these calculations are often not standardized and, even when they are, expert-level understand of the methods is needed in order to properly perform a simulation. The energy research community a ...

Laser based advanced accelerators can achieve very high accelerating gradients, but their duty cycle is limited by the laser power availability and media recovery time. Inverse Free Electron Laser (IFEL) is a vacuum farfield laser accelerator scheme which does not rely on a medium (plasma) or a structure (metal or electric) and therefore is potentially capable of accelerating charged particles ver ...

A key requirement for microalgae biofuels production is a very low cost harvesting technology. Commercially available solidliquid separation technologies applicable to microalgae, such as chemical coagulation, membrane separations and centrifugation, are too costly for biofuels production or other lowcost microalgae processes, such as wastewater treatment. A low cost harvesting process is bio floc ...

The Exascale Computing Project is tasked to develop the next generation of high performance computing systems capable of computing at 50 to 100 times faster than current HPC systems. Computing at this extreme-scale will significantly enhance the value of materials modeling and simulation to basic materials research and engineering In particular, computing at the extreme scale will enable a higher ...

Computer-aided Engineering software that apply the Finite Element Method to perform a multi-physics analysis have received widespread acceptance for traditional macro-scale material systems. Challenges persist in the modeling of complex coupled processes in environmental/thermal barrier coatings (E/TBCs) used to protect substrate material against the corrosive environment in the hot section parts ...

Terrorist use of radioactive nuclear materials via nuclear and/or radiological dispersion devices (dirty bombs) is a serious threat. Therefore, it is crucial to detect proliferation of nuclear material. Critical challenges include: (a) high sensitivity detection of signature emissions from radioactive isotopes, and (b) cost-effectiveness for deployment of sensor networks across large storage facil ...

A critical aspect of exoskeleton control that has to date introduced a performance limitation is the ability of the exoskeleton to recognize the intent of the operator so it can apply assistance to their desired motion. This intent recognition effort is typically solved using ad-hoc methods where subject matter experts make design decisions and tune transitions to identify intended maneuvers as re ...

Managing the flow of water, nutrients, and contaminants in watersheds is vital to addressing pressing issues related to water scarcity, access to clean drinking water, energy production, resilience to natural and anthropogenic perturbations, and ecological restoration. Decisions about the management of watersheds critically depend on the accuracy with which the flow of water and chemicals through ...

Replacement of petroleum based vehicles with fuel cell electric vehicles operating on hydrogen produced from domestically available resources would dramatically decrease emissions of greenhouse gases and other pollutants as well as reduce dependence on oil from politically volatile regions of the world. One major inhibitor to a hydrogen society is the lack of infrastructure, which requires hydroge ...