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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A numerical Poisson solver with improved radial solutions for a self-consistent locally scaled self-interaction correction method

Abstract The universal applicability of density functional approximations is limited by self-interaction error made by these functionals. Recently, a novel one-electron self-interaction-correction (SIC) method that uses an iso-orbital indicator to apply the SIC at each point in space by scaling the exchange-correlation and Coulomb energy densities was proposed. The locally scaled SIC (LSIC) method is exact for the one-electron densities, and unlike the well-known Perdew–Zunger SIC (PZSIC) method recovers the uniform electron gas limit of the uncorrected density functional approximation, and reduces to PZSIC method as a special case when isoorbital indicator is set to the unity. Here, we present a numerical scheme that we have adopted to evaluate the Coulomb potential of the electron density scaled by the iso-orbital indicator required for the self-consistent LSIC calculations. After analyzing the behavior of the finite difference method (FDM) and the green function solution to the radial part of the Poisson equation, we adopt a hybrid approach that uses the FDM for the Coulomb potential due to the monopole and the GF for all higher-order terms. The performance of the resultant hybrid method is assessed using a variety of systems. The results show improved accuracy than earlier numerical schemes. We also find that, even with a generic set of radial grid parameters, accurate energy differences can be obtained using a numerical Coulomb solver in standard density functional studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

System and method for assaying radiation

A system for assaying radiation includes a sample holder configured to hold a liquid scintillation solution. A photomultiplier receives light from the liquid scintillation solution and generates a signal reflective of the light. A control circuit biases the photomultiplier and receives the signal from the photomultiplier reflective of the light. A light impermeable casing surrounds the sample holder, photomultiplier, and control circuit. A method for assaying radiation includes placing a sample in a liquid scintillation solution, placing the liquid scintillation solution in a sample holder, and placing the sample holder inside a light impermeable casing. The method further includes positioning a photomultiplier inside the light impermeable casing and supplying power to a control circuit inside the light impermeable casing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

SU-F-T-629: Effect of Multi-Leaf Collimator (MLC) Width On Plan Quality of Single-Isocenter VMAT Intracranial Stereotactic Radiosurgery for Multiple Metastases

Purpose: Single-isocenter VMAT has been shown able to create high quality plans for complex intracranial multiple metastasis SRS cases. Linacs capable of the technique are typically outfitted with an MLC that consists of a combination of 5 mm and 10 mm leaves (standard) or 2.5 mm and 5 mm leaves (high-definition). In this study, we test the hypothesis that thinner collimator leaves are associated with improved plan quality. Methods: Ten multiple metastasis cases were identified and planned for VMAT SRS using a 10 MV flattening filter free beam. Plans were created for a standard (std) and a high-definition (HD) MLC. Published values for leaf transmission factor and dosimetric leaf gap were utilized. All other parameters were invariant. Conformity (plan and individual target), moderate isodose spill (V50%), and low isodose spill (mean brain dose) were selected for analysis. Results: Compared to standard MLC, HD-MLC improved overall plan conformity (median: Paddick CI-HD = 0.83, Paddick CI-std = 0.79; p = 0.004 and median: RTOG CI-HD =1.18, RTOG CI-std =1.24; p = 0.01 ), improved individual lesion conformity (median: Paddick CI-HD,i =0.77, Paddick CI-std,i =0.72; p < 0.001 and median: RTOG CI-HD,i = 1.28, RTOG CI-std,i =1.35; p < 0.001), improved moderate isodose spill (median: V50%-HD = 37.0 cc, V50%-std = 45.7 cc; p = 0.002), and improved low dose spill (median: dmean-HD = 2.90 Gy, dmean-std = 3.19 Gy; p = 0.002). Conclusion: For the single-isocenter VMAT SRS of multiple metastasis plans examined, use of HD-MLC modestly improved conformity, moderate isodose, and low isodose spill compared to standard MLC. However, in all cases we were able to generate clinically acceptable plans with the standard MLC. More work is need to further quantify the difference in cases with higher numbers of small targets and to better understand any potential clinical significance. This research was supported in part by Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1940

Flow around wings accompanied by separation of vortices

The flow around wings computed by the usual method leads in the case of a finite trailing edge to a stagnation point in the trailing edge due to the Kutta-Joukowsky condition of flow governing this region. As a result, the theoretical pressure distribution differs substantially from the experimental values in the vicinity of the trailing edge. The present report describes an alternative method of calculation in which the rear stagnation point no longer appears. The stream leaves the trailing edge tangentially on the pressure side and a similar tangential separation occurs on the suction side of the profile at a point slightly in front of the trailing edge.

Schmieden, C↗
DOE OSTI2025

A comparative study of calibration techniques for finite strain elastoplasticity: Numerically-exact sensitivities for FEMU and VFM

Accurate identification of material parameters is crucial for predictive modeling in computational mechanics. Here, the two primary approaches in the experimental mechanics community for calibration from full-field digital image correlation data are known as finite element model updating (FEMU) and the virtual fields method (VFM). In VFM, the objective function is a squared mismatch between internal and external virtual work or power. In FEMU, the objective function quantifies the weighted mismatch between model predictions and corresponding experimentally measured quantities of interest. It is minimized by iteratively updating the parameters of an FE model. While FEMU is seen as more flexible, VFM is commonly used instead of FEMU due to its considerably greater computational expense. However, comparisons between the two methods usually involve approximations of gradients or sensitivities with finite difference schemes, thereby making direct assessments difficult. Hence, in this study, we compare VFM and FEMU in the context of numerically-exact sensitivities obtained through local sensitivity analyses and the application of automatic differentiation software. To this end, we conduct a series of test cases to assess both methods under practical challenges using a finite strain elastoplasticity model.

Automatic differentiation↗
NASA NTRSDate not supplied

Three-Dimensional Instantaneous Flow-field Reconstruction Using Planar Spectral Proper Orthogonal Decomposition

A novel method for three-dimensional flowfield reconstruction is presented that utilizes spectral proper orthogonal decomposition (SPOD). The time-resolved PIV data are acquired in multiple two-dimensional spanwise planes, with adequate streamwise spacing to resolve the out-of-plane wavelength. Knowledge of the out-of-plane phase speed is also required, and for the present case this value was obtained using instantaneous hot-wire measurements. The method is validated by comparing phase-averaged results acquired with a forcing signal to the SPOD reconstructed results using the same data. The method is also applied to data with no forcing applied, and the results are shown to be similar to the forced case. This method is particularly useful for cases in which there are multiple frequencies of interest, or cases in which the phenomena occur over a broad range of frequencies. This method allows reconstruction of the frequencies of interest without the need for a forcing signal, so the flow can be studied in its natural (undisturbed) state.

boundary-layer transition↗
DOE OSTI2021

The effects of low- Z shielding on uranium isotope discrimination using the time-emission profiles of long-lived delayed neutrons

Characteristic radiation signals can often be obscured or distorted by relatively small amounts of shielding, as is the case for highly-enriched uranium (HEU). Methods that can detect and identify special nuclear material (SNM) even in the presence of shielding are therefore of high value in many nuclear security and nonproliferation applications. It has been previously shown that the buildup and decay time profiles of long-lived delayed neutron emission from induced fission are unique and can be used to successfully discriminate between uranium isotopes and infer enrichment without the need for a calibration standard. Because the long-lived delayed neutron precursors exhibit decay times on the order of tens of seconds, their time profiles are not sensitive to the delays associated with scattering or diffusion in shielding materials, which occur on much shorter time scales. The use of capture-based neutron detectors can also mitigate the effects of shielding, because unlike recoil-based detectors, they do not have a low-energy detection threshold, so that neutrons that lose their energy in the shielding are still detectable. In this work, the effects of low-Z shielding on the discrimination of uranium isotopes using delayed neutron time profile measurements are investigated for the first time. Furthermore, the delayed neutron buildup and decay time profiles of polyethylene-shielded HEU and depleted uranium objects are measured using two different capture-gated detector designs. The recorded profiles show good agreement with the shapes predicted from six-group delayed neutron models even with the shielding in place, and the enrichment of the HEU and DU objects was estimated accurately to within 5%. While this method shows potential for discriminating and characterizing extreme cases of enrichment when a moderate amount of shielding is present, simulation results suggest that significant limitations exist for intermediate enrichment levels due to distortions to the delayed neutron time profile caused by neutron reflection in the shielding.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

SU-C-207A-05: Feature Based Water Equivalent Path Length (WEPL) Determination for Proton Radiography by the Technique of Time Resolved Dose Measurement

Purpose: Studies show that WEPL can be determined from modulated dose rate functions (DRF). However, the previous calibration method based on statistics of the DRF is sensitive to energy mixing of protons due to scattering through different materials (termed as range mixing here), causing inaccuracies in the determination of WEPL. This study intends to explore time-domain features of the DRF to reduce the effect of range mixing in proton radiography (pRG) by this technique. Methods: An amorphous silicon flat panel (PaxScan™ 4030CB, Varian Medical Systems, Inc., Palo Alto, CA) was placed behind phantoms to measure DRFs from a proton beam modulated by a specially designed modulator wheel. The performance of two methods, the previously used method based on the root mean square (RMS) and the new approach based on time-domain features of the DRF, are compared for retrieving WEPL and RSP from pRG of a Gammex phantom. Results: Calibration by T{sub 80} (the time point for 80% of the major peak) was more robust to range mixing and produced WEPL with improved accuracy. The error of RSP was reduced from 8.2% to 1.7% for lung equivalent material, with the mean error for all other materials reduced from 1.2% to 0.7%. The mean error of the full width at half maximum (FWHM) of retrieved inserts was decreased from 25.85% to 5.89% for the RMS and T{sub 80} method respectively. Monte Carlo simulations in simplified cases also demonstrated that the T{sub 80} method is less sensitive to range mixing than the RMS method. Conclusion: WEPL images have been retrieved based on single flat panel measured DRFs, with inaccuracies reduced by exploiting time-domain features as the calibration parameter. The T{sub 80} method is validated to be less sensitive to range mixing and can thus retrieve the WEPL values in proximity of interfaces with improved numerical and spatial accuracy for proton radiography.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1982

A comparison of adiabatic and kinematic vertical motions using mesoscale data

Results are compared from the adiabatic and kinematic methods of determining vertical motion during a period of severe convective storms when special meso alpha-scale rawinsonde data were available. The two procedures were tested using data from the first regional-scale day of AVE-SESAME '79 which coincided with the Red River Valley tornado outbreak of April 10-11, 1979. At 700 mb, each technique showed good agreement with the weather patterns, but the kinematic procedure gave superior results at 500 mb. The overall goodness of the adiabatic method during this particular case was not solely due to the high-resolution SESAME data since synoptic-scale mechanisms played a major role in creating a storm-conducive environment. With the advent of computer aided analysis systems such as AFOS, forecasters will have quicker access to a greater variety of information. Present results suggest that the adiabatic method can yield useful information for severe storm forecasters, especially in the lower troposphere. An interesting follow-on study would use sounding data from geostationary VAS satellites to compute adiabatic vertical motions at finer time and space resolutions than is now possible using RAOB data alone. Geostrophic winds derived from satellite thermal data probably can be used.

Fuelberg, H. E.↗
NASA NTRS1985

Intersection of three-dimensional geometric surfaces

Calculating the line of intersection between two three-dimensional objects and using the information to generate a third object is a key element in a geometry development system. Techniques are presented for the generation of three-dimensional objects, the calculation of a line of intersection between two objects, and the construction of a resultant third object. The objects are closed surfaces consisting of adjacent bicubic parametric patches using Bezier basis functions. The intersection determination involves subdividing the patches that make up the objects until they are approximately planar and then calculating the intersection between planes. The resulting straight-line segments are connected to form the curve of intersection. The polygons in the neighborhood of the intersection are reconstructed and put back into the Bezier representation. A third object can be generated using various combinations of the original two. Several examples are presented. Special cases and problems were encountered, and the method for handling them is discussed. The special cases and problems included intersection of patch edges, gaps between adjacent patches because of unequal subdivision, holes, or islands within patches, and computer round-off error.

Crisp, V. K.↗
NASA NTRS1989

Matrix isolation as a tool for studying interstellar chemical reactions

Since the identification of the OH radical as an interstellar species, over 50 molecular species were identified as interstellar denizens. While identification of new species appears straightforward, an explanation for their mechanisms of formation is not. Most astronomers concede that large bodies like interstellar dust grains are necessary for adsorption of molecules and their energies of reactions, but many of the mechanistic steps are unknown and speculative. It is proposed that data from matrix isolation experiments involving the reactions of refractory materials (especially C, Si, and Fe atoms and clusters) with small molecules (mainly H2, H2O, CO, CO2) are particularly applicable to explaining mechanistic details of likely interstellar chemical reactions. In many cases, matrix isolation techniques are the sole method of studying such reactions; also in many cases, complexations and bond rearrangements yield molecules never before observed. The study of these reactions thus provides a logical basis for the mechanisms of interstellar reactions. A list of reactions is presented that would simulate interstellar chemical reactions. These reactions were studied using FTIR-matrix isolation techniques.

Ball, David W.↗
NASA NTRS1953

Estimation of Hydrodynamic Impact Loads and Pressure Distributions on Bodies Approximating Elliptical Cylinders with Special Reference to Water Landings of Helicopters

An approximate method for computing water loads and pressure distributions on lightly loaded elliptical cylinders during oblique water impacts is presented. The method is of special interest for the case of emergency water landings of helicopters. This method makes use of theory developed and checked for landing impacts of seaplanes having bottom cross sections of V and scalloped contours. An illustrative example is given to show typical results obtained from the use of the proposed method of computation. The accuracy of the approximate method was evaluated through comparison with limited experimental data for two-dimensional drops of a rigid circular cylinder at a trim of 0 degrees and a flight -path angle of 90 degrees. The applicability of the proposed formulas to the design of rigid hulls is indicated by the rough agreement obtained between the computed and experimental results. A detailed computational procedure is included as an appendix.

Schnitzer, Emanuel↗
NASA NTRS1994

Three-dimensional radiative transfer on a massively parallel computer

We perform 3D radiative transfer calculations in non-local thermodynamic equilibrium (NLTE) in the simple two-level atom approximation on the Mas-Par MP-1, which contains 8192 processors and is a single instruction multiple data (SIMD) machine, an example of the new generation of massively parallel computers. On such a machine, all processors execute the same command at a given time, but on different data. To make radiative transfer calculations efficient, we must re-consider the numerical methods and storage of data. To solve the transfer equation, we adopt the short characteristic method and examine different acceleration methods to obtain the source function. We use the ALI method and test local and non-local operators. Furthermore, we compare the Ng and the orthomin methods of acceleration. We also investigate the use of multi-grid methods to get fast solutions for the NLTE case. In order to test these numerical methods, we apply them to two problems with and without periodic boundary conditions.

Vath, H. M.↗
NASA NTRS2013

Advanced Methods for Determining Prediction Uncertainty in Model-Based Prognostics with Application to Planetary Rovers

Prognostics is centered on predicting the time of and time until adverse events in components, subsystems, and systems. It typically involves both a state estimation phase, in which the current health state of a system is identified, and a prediction phase, in which the state is projected forward in time. Since prognostics is mainly a prediction problem, prognostic approaches cannot avoid uncertainty, which arises due to several sources. Prognostics algorithms must both characterize this uncertainty and incorporate it into the predictions so that informed decisions can be made about the system. In this paper, we describe three methods to solve these problems, including Monte Carlo-, unscented transform-, and first-order reliability-based methods. Using a planetary rover as a case study, we demonstrate and compare the different methods in simulation for battery end-of-discharge prediction.

prognosis↗
DOE OSTI2011

Connecting two jumplike unravelings for non-Markovian open quantum systems

The development and use of Monte Carlo algorithms plays a visible role in the study of non-Markovian quantum dynamics due to the provided insight and powerful numerical methods for solving the system dynamics. In the Markovian case, the connections between the various types of methods are fairly well understood while, for the non-Markovian case, there has so far been only a few studies. We focus here on two jumplike unravelings of non-Markovian dynamics: the non-Markovian quantum jump (NMQJ) method and the property state method by Gambetta, Askerud, and Wiseman (GAW). The results for simple quantum optical systems illustrate the connections between the realizations of the two methods and also highlight how the probability currents between the system and environment, or between the property states of the total system, are associated with the decay rates of time-local master equations and, consequently, with the jump rates of the NMQJ method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

How Can Probabilistic Solar Power Forecasts Be Used to Lower Costs and Improve Reliability in Power Spot Markets? A Review and Application to Flexiramp Requirements

Net load uncertainty in electricity spot markets is rapidly growing. There are five general approaches by which system operators and market participants can use probabilistic forecasts of wind, solar, and load to help manage this uncertainty. These include operator situation awareness, resource risk hedging, reserves procurement, definition of contingencies, and explicit stochastic optimization. We review these approaches, and then provide a case study in which a method for using probabilistic solar forecasts to define needs for reserves is developed and evaluated. The case study has three parts. First, we describe building blocks for enhancing the Watt-Sun solar forecasting system to produce probabilistic irradiance and power forecasts. Second, relationships between Watt-Sun forecasts for multiple sites in California and the system's need for flexible ramp capability (flexiramp) are defined by machine learning and statistical methods. Third, the performance of present methods to defining flexiramp requirements, which are not conditioned on weather and renewables forecasts, is compared with that of probabilistic solar forecast-based requirements, using a multi-timescale production costing model with an 1820-bus representation of the WECC power system. Significant potential savings in fuel and flexiramp procurement costs from using solar-informed reserve requirements are found.

14 SOLAR ENERGY↗
DOE OSTI2026

Extreme-scale EV charging infrastructure planning for last-mile delivery using high-performance parallel computing

Here, this paper addresses stochastic charger location and allocation problems under queue congestion for last-mile delivery using electric vehicles (EVs). The objective is to decide where to open charging stations and how many chargers of each type to install, subject to budgetary and waiting-time constraints. We formulate the problem as a mixed-integer non-linear program, where each station-charger pair is modeled as a multiserver queue with stochastic arrivals and service times to capture the notion of waiting in fleet operations. The model is extremely large, with billions of variables and constraints for a typical metropolitan area; even loading the model in solver memory is difficult, let alone solving it. To address this challenge, we develop a Lagrangian-based dual decomposition framework that decomposes the problem by station and leverages parallelization on high-performance computing systems, where the subproblems are solved by using a cutting plane method and their solutions are collected at the master level. We also develop a three-step rounding heuristic to transform the fractional subproblem solutions into feasible integral solutions. Computational experiments on data from the Chicago metropolitan area with hundreds of thousands of households and thousands of candidate stations show that our approach produces high-quality solutions in cases where existing exact methods cannot even load the model in memory. We also analyze various policy scenarios, demonstrating that combining existing depots with newly built stations under multiagency collaboration substantially reduces costs and congestion. These findings offer a scalable and efficient framework for developing sustainable large-scale EV charging networks.

Capacity allocation↗
DOE OSTI2023

Performance Assessment of Pakistani Central Receiver Plant Case Study Using Aimpoint Strategy Optimization Tools

Pakistan has a high potential for both photovoltaic and Concentrated Solar Power (CSP) deployment to meet its energy requirements. Previous feasibility studies have shown that a variety of CSP technologies are both technically and economically viable in the Pakistani climate and can significantly mitigate the country's current lack of grid reliability. This work aims to enhance the performance of a previously designed Central Receiver System (CRS) plant for Pakistan using state-of-the-art aimpoint optimization methods. Results from our case study show that optimized aiming strategies have increased practicality due to their adherence to flux limitations on the receiver, and offer ~2.4% more thermal energy delivered to the receiver for the Pakistani case study compared to modern performance characterization software, translating to up to 149 additional hours of nameplate-capacity production to address the shortfall in an electricity-starved market.

central receiver system↗