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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

High Performance Computing for Phase Predictions for Multi – Component Alloy Systems (Final CRADA Report)

The goal of this work is to establish important alloy new data from rigorous, first-principles-based computational approaches, for systems that presently lack critical data. The focus is on lightweight alloys due to their importance in energy-efficient applications for transportation and other areas, particularly for alloy compositions such as Al-Li-Ti where existing data is limited. By providing input on this class of compositions, we seek to significantly reduce the effort, expense and energy of experimental explorations of these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Quantum Optimal Control Using High Performance Computing

This feasibility study developed numerical methods for the optimal control problem for realizing logical gates in closed quantum systems, where the evolution of the state vector is governed by the time dependent Schrodinger equation. The number of parameters in the control functions is made independent of the number of time steps by expanding them in terms of B-spline basis functions, with and without carrier waves. We use an interior point gradient-based technique from the IPOPT package to minimize the gate infidelity subject to amplitude constraints on the control functions. The symplectic Stromer-Verlet scheme is used to integrate a real-valued formulation of Schrodinger's equation in time and the gradient of the gate infidelity is obtained by solving the corresponding adjoint equation. This allows all components of the gradient to be calculated at the cost of solving three Schrodinger systems, independently of the number of parameters in the control functions. The correctness of the method is verified and applied to Hamiltonians that model the dynamics of coupled super-conducting qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Predictive Models and High-Performance Computing as Tools to Accelerate the Scaling-Up of New Bio-Based Fuels Workshop: Summary Report

This report summarizes the results of a virtual workshop sponsored by the Bioenergy Technologies Office held on June 9–11, 2020. The workshop discussed best practices for utilizing mathematical modeling tools across multiple scales to reduce technology uncertainty and accelerate scaling-up of biorefinery/chemical production equipment and optimize operations.

09 BIOMASS FUELS↗
DOE OSTI2022

Los Alamos National Laboratory High Performance Computing Overview [Slides]

We need such big computers because without testing, we don't understand the health of the AGING stockpile. Our big computers store a wealth of test data. We model weapons as they were tested and see if we can match the results to validate models, and we then use validated models along with dismantlement information on aging to certify the stockpile. Sometimes the results of tests can’t be explained well, so even that part requires massive computations, but applying the model to future use is an astonishing amount of computing.

97 MATHEMATICS AND COMPUTING↗