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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Comparison of exponential integrators and traditional time integration schemes for the shallow water equations

We report the time integration scheme is probably one of the most fundamental choices in the development of an ocean model. In this paper, we investigate several time integration schemes when applied to the shallow water equations. This set of equations is accurate enough for the modeling of a shallow ocean and is also relevant to study as it is the one solved for the barotropic (i.e. vertically averaged) component of a three dimensional ocean model. We analyze different time stepping algorithms for the linearized shallow water equations. High order explicit schemes are accurate but the time step is constrained by the Courant-Friedrichs-Lewy stability condition. Implicit schemes can be unconditionally stable but, in practice lack accuracy when used with large time steps. In this paper we propose a detailed comparison of such classical schemes with exponential integrators. The accuracy and the computational costs are analyzed in different configurations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Accelerating ab initio path integral molecular dynamics with multilevel sampling of potential surface

A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics (AI-PIMD) simulation, without compromising the overall accuracy. To validate the method, the internal energy and free energy of an Einstein crystal are calculated and compared with the analytical solutions. As a preliminary application, we assess the performance of the method in a realistic model—the FCC phase of dense atomic hydrogen, in which the calculated result shows that the acceleration rate is about 3 to 4-fold for a two-level implementation, and can be increased up to 10 times if extrapolation is used. With only 16 beads used for the ab initio potential sampling, this method gives a well converged internal energy. The residual error in pressure is just about 3 GPa, whereas it is about 20 GPa for a plain AI-PIMD calculation with the same number of beads. The vibrational free energy of the FCC phase of dense hydrogen at 300 K is also calculated with an AI-PIMD thermodynamic integration method, which gives a result of about 0.51 eV/proton at a density of r{sub s}=0.912.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

A Simple Criterion for Feasibility of Heat Integration between Distillation Streams Based on Relative Volatilities

In a multicomponent distillation configuration, there are numerous sources and sinks of heat, and a potential way to reduce the heat duty requirement is to perform heat integration. Unfortunately, an algorithmic search of the optimal heat integration opportunities is intractable when the required temperatures of intermediate streams are computed via complex models. Instead, in this work, we introduce pressure-scaled pseudo relative volatility, a new metric to compare stream temperatures. Here, we justify the use of pseudo relative volatility by proving that this variable is a monotonically increasing function of the liquid fraction in a saturated mixture stream. Using this metric, we derive a shortcut criterion to check the feasibility of various heat integration opportunities, such as thermal coupling via heat transfer (TCH). The advantage of this approach is that it circumvents the need for explicit temperatures and instead relies on composition, component relative volatilities, and pressure—quantities that are readily available in shortcut models for optimization of distillation configurations. Leveraging this fact, we propose a new optimization framework that identifies feasible TCHs that we consider within the formulation while minimizing the total heat duty of a distillation configuration. We demonstrate, on a few examples, that our formulation can identify heat duty efficient configurations, some of which are multieffect configurations. Using this methodology, we discover configurations that are not only simpler than the fully thermally coupled (FTC) configuration but also have a much lower heat duty.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

An array of virtual Frisch-grid CdZnTe detectors and a front-end application-specific integrated circuit for large-area position-sensitive gamma-ray cameras

We developed a robust and low-cost array of virtual Frisch-grid CdZnTe (CZT) detectors coupled to a front-end readout ASIC for spectroscopy and imaging of gamma rays. The array operates as a self-reliant detector module. It is comprised of 36 close-packed 6x6x15 mm 3 detectors grouped into 3x3 sub-arrays of 2x2 detectors with the common cathodes. The front-end analog ASIC accommodates up to 36 anode and 9 cathode inputs. Several detector modules can be integrated into a single- or multi-layer unit operating as a Compton or a coded-aperture camera. We present the results from testing two fully assembled modules and readout electronics. The further enhancement of the arrays’ performance and reduction of their cost are made possible by using position-sensitive virtual Frisch-grid detectors, which allow for accurate corrections of the response of material non-uniformities caused by crystal defects.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Integrated Urban Services (IUS) Pilot Project Profile - Integrated Urban Agricultural Hub Development: Cagayan de Oro (CdO), Philippines

This brief provides a project snapshot of the Integrated Urban Services program's support to Cagayan de Oro, Philippines for development of an integrated urban agricultural hub. Integrated Urban Services is a U.S. State Department program launched in 2021 under the United States-Association of Southeast Asian Nations Smart Cities Partnership helping cities build resilience in their energy, food, and water provisioning systems.

ASEAN↗
DOE OSTI2023

Integrated Urban Services (IUS) Pilot Project Profile - Integrated AgriTech Hub Development in Flagship F Zone: Iskandar Malaysia

This brief provides a project snapshot of the Integrated Urban Services program's support to Iskandar Malaysia for development of an integrated urban agricultural hub. Integrated Urban Services is a U.S. State Department program launched in 2021 under the United States-Association of Southeast Asian Nations Smart Cities Partnership helping cities build resilience in their energy, food, and water provisioning systems.

ASEAN↗
DOE OSTI2022

Overview of System Integration Analysis Activities for Integrated Waste Management

Spent nuclear fuel (SNF) generated by the current fleet of commercial nuclear reactors is being stored at reactor sites in spent fuel pools (SFPs) and in dry independent spent fuel storage installations (ISFSIs). The U.S. Department of Energy Office of Nuclear Energy (DOE-NE) Integrated Waste Management (IWM) program is examining a suite of IWM system options and conducting supporting analyses to enable future informed choices. The IWM program is currently organized into the following four major areas: (1) IWM facilities and equipment concepts and development, (2) transportation capability analysis and support, (3) information technology solutions and support, and (4) system integration analysis and support. This paper focuses on the activities ongoing in the IWM system integration analysis and support area. Two main research activities in this area are: data and tools development, validation, and maintenance; and special studies, analyses, and assessments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Numerical integration for ab initio many-electron self energy calculations within the GW approximation

We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the self energy. Our scheme takes the zero broadening limit in Green's function first, replaces the numerator of the integrand with a piecewise polynomial approximation, and performs principal value integration on subintervals analytically. We give the error bound of our numerical integration scheme and show by numerical examples that it is more reliable and accurate than the standard quadrature rules such as the composite trapezoidal rule. We also discuss the benefit of using different self energy expressions to perform the numerical convolution at different frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Integrating proteomic or transcriptomic data into metabolic models using linear bound flux balance analysis

Abstract Motivation Transcriptomics and proteomics data have been integrated into constraint-based models to influence flux predictions. However, it has been reported recently for Escherichia coli and Saccharomyces cerevisiae, that model predictions from parsimonious flux balance analysis (pFBA), which does not use expression data, are as good or better than predictions from various algorithms that integrate transcriptomics or proteomics data into constraint-based models. Results In this paper, we describe a novel constraint-based method called Linear Bound Flux Balance Analysis (LBFBA), which uses expression data (either transcriptomic or proteomic) to predict metabolic fluxes. The method uses expression data to place soft constraints on individual fluxes, which can be violated. Parameters in the soft constraints are first estimated from a training expression and flux dataset before being used to predict fluxes from expression data in other conditions. We applied LBFBA to E.coli and S.cerevisiae datasets and found that LBFBA predictions were more accurate than pFBA predictions, with average normalized errors roughly half of those from pFBA. For the first time, we demonstrate a computational method that integrates expression data into constraint-based models and improves quantitative flux predictions over pFBA. Availability and implementation Code is available in the Supplementary data available at Bioinformatics online. Supplementary information Supplementary data are available at Bioinformatics online.

Tian, Mingyuan↗
NASA NTRS1974

The MIST (Minus Integration and Subsystems Test) Laboratory: A testbed for the MIUS (Modular Integrated Utility System) program

The MIUS program develops an economically feasible integrated utility system. The MIUS concept integrates utility services in order to achieve resource, energy and environmental benefits. A testbed integrated utility system, called the MIST laboratory, was completed early in 1974 and has begun a long term program to develop data for MIUS. A description of the MIST is presented and the critical design issues which can only be verified by test, are discussed in detail.

Beckham, W. S., Jr.↗
NASA NTRS1984

Definition, analysis and development of an optical data distribution network for integrated avionics and control systems. Part 2: Component development and system integration

Fiber optic transmission is emerging as an attractive concept in data distribution onboard civil aircraft. Development of an Optical Data Distribution Network for Integrated Avionics and Control Systems for commercial aircraft will provide a data distribution network that gives freedom from EMI-RFI and ground loop problems, eliminates crosstalk and short circuits, provides protection and immunity from lightning induced transients and give a large bandwidth data transmission capability. In addition there is a potential for significantly reducing the weight and increasing the reliability over conventional data distribution networks. Wavelength Division Multiplexing (WDM) is a candidate method for data communication between the various avionic subsystems. With WDM all systems could conceptually communicate with each other without time sharing and requiring complicated coding schemes for each computer and subsystem to recognize a message. However, the state of the art of optical technology limits the application of fiber optics in advanced integrated avionics and control systems. Therefore, it is necessary to address the architecture for a fiber optics data distribution system for integrated avionics and control systems as well as develop prototype components and systems.

Yen, H. W.↗