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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Møller-Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Finally, some specific chemical examples include calculations on the strongly correlated Cr 2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.

computational modelling↗
NASA NTRS1991

Performance and optimization of a 'derated' ion thruster for auxiliary propulsion

This paper discusses the characteristics and implications of use of a derated ion thruster for north-south-stationkeeping (NSSK) propulsion. A derated thruster is a 30-cm diameter primary propulsion ion thruster operated at highly throttled conditions appropriate to NSSK functions. The performance characteristics of a 30-cm ion thruster are presented, emphasizing throttled operation at low specific impulse and high thrust-to-power ratio. Performance data and component erosion are compared to other NSSK ion thrusters. Operations benefits derived from the performance advantages of the derated approach are examined assuming an Intelsat VII-type spacecraft. Minimum ground test facility pumping capabilities required to maintain facility enhanced accelerator grid erosion at acceptable levels in a lifetest are quantified as a function of thruster operating condition. Novel approaches to reducing the derated thruster mass and volume are also discussed.

Patterson, Michael J.↗
DOE OSTI2022

Longitudinal Trajectories of Memory Performance in Patients with Early-Stage Breast Cancer

Background. While breast cancer and its treatments may affect cognition, the longitudinal trajectories of cognition among those receiving differing cancer treatment types remain poorly understood. Prior research suggests hippocampal-prefrontal cortex network integrity may influence cognition, although how this network predicts performance over time remains unclear. Methods. We conducted a prospective trial including 69 patients with early-stage breast cancer receiving adjuvant therapy and 12 controls. Longitudinal cognitive testing was conducted at four visits: pretreatment-baseline, 6-7 months, 14-15 months, and 23-24 months. Cognitive composite scores of episodic memory, executive functioning, and processing speed were assessed at each timepoint. Baseline structural MRI was obtained in a subset of these participants, and hippocampal and prefrontal cortex regional volumes were extracted. Results. Longitudinal linear mixed modeling revealed significant group by time interactions on memory performance, controlling for age and education. Post hoc analyses revealed this effect was driven by patients treated with chemotherapy or chemotherapy plus hormone therapy, who demonstrated the least improvement in memory scores over time. Treatment group did not significantly influence the relationship between time and processing speed or executive functioning. Neither pretreatment hippocampal nor prefrontal volume differed between groups, and there were no significant group by time by baseline regional volume effects on cognition. Conclusion. Patients with early-stage breast cancer treated with chemotherapy or chemotherapy plus hormone therapy benefit less from practice effects seen in healthy controls on memory tests. Loss of longitudinal practice effect may be a new and clinically relevant measure for capturing patients’ experience of cognitive difficulties after treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Safety Functions and Features, Events and Processes for the E-Area Performance Assessment

The DOE Technical Standard, “Disposal Authorization Statement and Tank Closure Documentation,” (DOE 2017) recommends the use of safety functions and features, events and processes (FEPs) to support development of conceptual models and identification of scenarios to be considered in a performance assessment (PA). The FEP process provides a means to describe how a PA considers and addresses the factors that could influence the performance of key barriers. Understanding the roles of barriers in terms of limiting migration helps to focus on how changes in the system could lead to a situation where those roles cannot be fulfilled and there is the potential for compromised performance. The FEPs screening and review process was used to identify FEPs that are relevant for the EArea Low-Level Waste Facility (LLWF) and specifically those FEPs that could have a detrimental impact on the effectiveness of a given safety function. For this PA, a default list of FEPs developed at the International Atomic Energy Agency (IAEA 2004) and an approach implemented for PAs at the Hanford and Idaho sites (Mehta et al. 2016, DOE-ID 2019) are used to identify processes and events that could influence the effectiveness of a given safety function for the E-Area LLWF (e.g., subsidence can impact the safety function of the cover system and lead to increased infiltration). The Hanford and Idaho PAs represent two of the most recent applications of this approach. The PA evaluates the potential impacts of changes in performance of different features of the system and demonstrates that the safety functions represent multiple and redundant barriers. Barrier analyses, assuming a safety function is not present, also test the robustness of the system in the event of the loss of one or more safety functions. Such evaluations also support a qualitative illustration of the concept of defense in depth. The safety concept for closure of the E-Area LLWF (generically referred to as “E-Area”) encompasses a variety of different features (i.e., administrative controls, natural site features, and engineered barriers) that reduce the potential impacts on human health and the environment from the residual waste that will remain after closure. These features can be represented as a collection of safety functions acting independently and as a system to provide for overall safety. In some applications, there have been attempts to assign numerical expectations to specific safety functions, but that is not the intent in this case. The concept of safety functions is used more qualitatively in two ways for this PA: 1. To illustrate the robustness of the E-Area design, operational practices and closure approach by documenting features that are and are not credited in different modeling cases. 2. To identify the roles of the different features and potential processes and events that could compromise the performance of safety features and need to be considered when developing the modeling approach. This report addresses both safety functions and FEPs for the E-Area PA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2003

Integration, Testing and Performance of the Infrared Multi-Object Spectrometer

The Infrared Multi-Object Spectrometer (IRMOS) is a principle investigator-class instrument for the Kitt Peak National Observatory 2.1 m and Mayall 3.8 m telescopes. IRMOS is a near-IR (0.8 - 2.5 micron) spectrometer with low-to mid-resolving power (R = lambda/delta lambda = 300 - 3000). On the 3.8 m telescope, IRMOS produces simultaneous spectra of approximately 100 objects in its approximately 3 x 2 arcmin field of view using a commercial micro electro-mechanical systems (MEMS) digital micro-mirror device (DMD) from Texas Instruments. The multi-mirror array DMD operates as a real-time programmable slit mask. The all-reflective optical design consists of two imaging subsystems. The focal reducer images the focal plane of the telescope onto the DMD field stop, and the spectrograph images the DMD onto a large-format detector. The instrument operates at approximately 80 K, cooled by a single electro-mechanical cryocooler. The bench and all components are made from aluminum 6061-T651. There are three cryogenic mechanisms. We describe laboratory integration and test of IRMOS before shipment to Kitt Peak. We give an overview of the optical alignment technique and integration of optical, mechanical, electrical and cryogenic subsystems. We compare optical test results to model predictions of point spread function size and morphology, contrast, and stray light. We discuss some lessons learned and conclude with a prediction for performance on the telescope.

Ohl, Raymond G.↗
DOE OSTI2013

THE INITIAL MASS FUNCTION MODELED BY A LEFT TRUNCATED BETA DISTRIBUTION

The initial mass function for stars is usually fitted by three straight lines, which means it has seven parameters. The presence of brown dwarfs (BDs) increases the number of straight lines to four and the number of parameters to nine. Another common fitting function is the lognormal distribution, which is characterized by two parameters. This paper is devoted to demonstrating the advantage of introducing a left truncated beta probability density function, which is characterized by four parameters. The constant of normalization, the mean, the mode, and the distribution function are calculated for the left truncated beta distribution. The normal beta distribution that results from convolving independent normally distributed and beta distributed components is also derived. The chi-square test and the Kolmogorov-Smirnov test are performed on a first sample of stars and BDs that belongs to the massive young cluster NGC 6611, and on a second sample that represents the masses of the stars of the cluster NGC 2362.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

A laboratory model of a hydrogen/oxygen engine for combustion and nozzle studies

A small laboratory diagnostic thruster was developed in order to evaluate approaches for the use of temperature and pressure sensors for the investigation of low thrust rocket flowfields. Tests were performed at chamber pressures of about 255 kPa, 370 kPa, and 500 kPa with oxidizer/fuel mixture ratios between 4.0 and 8.0. Two gaseous hydrogen/gaseous oxygen injector designs were tested with 60 and 75 fuel film cooling. The results of hot-wire tests showed the thruster and instrumentation designs to be effective. Azimuthal temperature distributions were found to be a function of operating conditions and hardware configuration. Results indicated that small differences in injector design can result in dramatically different thruster performance and wall temperature behavior. However, the importance of these injector effects may be decreased by operating at a high fuel film cooling rate.

Morren, Sybil H.↗
NASA NTRS2020

Overview of MultiLayer Metal Insulation Development for Small Stirling Convertors at NASA Glenn Research Center

A small Stirling convertor is currently under development at the NASA Glenn Research Center to produce one watt of electrical power from eight watts of heat. Previous radioisotope power systems made use of the General-Purpose Heat Source (GPHS) which produces 250 watts of heat but is unsuitable for a one-watt Stirling convertor. The only other qualified heat source available is the Light-Weight Radioisotope Heating Unit (LWRHU), which produces one watt of heat and is primarily used to provide heat to electronics and instrumentation to maintain their appropriate operating temperature. Unfortunately, the LWRHU has a heat flux of 272 W/meters squared compared to the GPHS heat flux of 6000 W/m2 which greatly increases the demands on the insulation to ensure that enough of the heat produced is available to the convertor and not lost to the environment. An analysis was performed that showed that the insulation must have an effective thermal conductivity of 0.005 W/m·K or better for the system to function. A multi-layer metal insulation package was designed and a prototype was fabricated and tested to investigate the feasibility of this design. While the prototype did not meet the requirements perfectly, the lessons learned are being used to generate an improved thermal model using the test data so that a second iteration can developed that will meet the performance requirements with a much higher confidence.

Daniel D Goodell↗
DOE OSTI2020

Hardware-in-the-Loop Test Bed and Test Methodology for Microgrid Controller Evaluation

Increasing penetration levels of distributed energy resources are making the deployment of microgrids more feasible. Controllers that operate such microgrids are key to realizing the objectives of the microgrid owner or operator and there is a need to evaluate microgrid controller performance prior to field deployment. This paper describes a controller hardware-in-the-loop and power hardware-in-the-loop microgrid controller test bed that was designed and constructed to evaluate the capabilities of a microgrid controller for a proposed campus microgrid. This paper also presents a test methodology to evaluate microgrid controller functionality, and it describes how the controller was assessed through the application of different test scenarios. Results from the testing are presented to provide insight into the capabilities of the test bed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Gradient-enhanced physics-informed neural networks for forward and inverse PDE problems

Deep learning has been shown to be an effective tool in solving partial differential equations (PDEs) through physics-informed neural networks (PINNs). PINNs embed the PDE residual into the loss function of the neural network, and have been successfully employed to solve diverse forward and inverse PDE problems. However, one disadvantage of the first generation of PINNs is that they usually have limited accuracy even with many training points. Here, we propose a new method, gradient-enhanced physics-informed neural networks (gPINNs), for improving the accuracy of PINNs. gPINNs leverage gradient information of the PDE residual and embed the gradient into the loss function. We tested gPINNs extensively and demonstrated the effectiveness of gPINNs in both forward and inverse PDE problems. Our numerical results show that gPINN performs better than PINN with fewer training points. Additionally, we combined gPINN with the method of residual-based adaptive refinement (RAR), a method for improving the distribution of training points adaptively during training, to further improve the performance of gPINN, especially in PDEs with solutions that have steep gradients.

42 ENGINEERING↗
DOE OSTI2017

Effect of the medium’s density on the hydrocyclonic separation of waste plastics with different densities

Highlights: • The density of medium is the key parameter to separate plastic particles. • The paper shows the theoretical analysis is in good agreement with test. • The optimum value of the medium’s density was obtained. • The optimum value of the medium’s density lies near that of denser particles. - Abstract: Hydrocyclones can be applied to recycle waste plastics with different densities through separating plastics based on their differences in densities. In the process, the medium density is one of key parameters and the value of the medium’s density is not just the average of the density of two kinds of plastics separated. Based on the force analysis and establishing the equation of motion of particles in the hydrocyclone, a formula to calculate the optimum separation medium density has been deduced. This value of the medium’s density is a function of various parameters including the diameter, density, radial position and tangential velocity of particles, and viscosity of the medium. Tests on the separation performance of the hydrocyclone has been conducted with PET and PVC particles. The theoretical result appeared to be in good agreement with experimental results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Two new constraints for the cumulant matrix

We suggest new strict constraints that the two-particle cumulant matrix should fulfill. The constraints are obtained from the decomposition of 〈S-^{sup 2}〉, previously developed in our laboratory, and the vanishing number of electrons shared by two non-interacting fragments. The conditions impose stringent constraints into the cumulant structure without any need to perform an orbital optimization procedure thus carrying very small or no computational effort. These constraints are tested on the series of Piris natural orbital functionals (PNOF), which are among the most accurate ones available in the literature. Interestingly, even though all PNOF cumulants ensure correct overall 〈S{sup ^2}〉 values, none of them is consistent with the local spin structure of systems that dissociate more than one pair of electrons. A careful analysis of the local spin components reveals the most important missing contributions in the cumulant expression thus suggesting a means to improve PNOF5. The constraints provide an inexpensive tool for the construction and testing of cumulant structures that complement previously known conditions such as the N-representability or the square of the total spin angular momentum, 〈S{sup ^2}〉.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Low resistance bakelite RPC study for high rate working capability

This paper presents series efforts to lower resistance of bakelite electrode plate to improve the RPC capability under high rate working condition. New bakelite material with alkali metallic ion doping has been manufactured and tested. This bakelite is found unstable under large charge flux and need further investigation. A new structure of carbon-embedded bakelite RPC has been developed, which can reduce the effective resistance of electrode by a factor of 10. The prototype of the carbon-embedded chamber could function well under gamma radiation source at event rate higher than 10 kHz/cm 2 . The preliminary tests show that this kind of new structure performs as efficiently as traditional RPCs.

36 MATERIALS SCIENCE↗
DOE OSTI2014

SU-C-9A-03: Simultaneous Deconvolution and Segmentation for PET Tumor Delineation Using a Variational Method

Purpose: To implement a new method that integrates deconvolution with segmentation under the variational framework for PET tumor delineation. Methods: Deconvolution and segmentation are both challenging problems in image processing. The partial volume effect (PVE) makes tumor boundaries in PET image blurred which affects the accuracy of tumor segmentation. Deconvolution aims to obtain a PVE-free image, which can help to improve the segmentation accuracy. Conversely, a correct localization of the object boundaries is helpful to estimate the blur kernel, and thus assist in the deconvolution. In this study, we proposed to solve the two problems simultaneously using a variational method so that they can benefit each other. The energy functional consists of a fidelity term and a regularization term, and the blur kernel was limited to be the isotropic Gaussian kernel. We minimized the energy functional by solving the associated Euler-Lagrange equations and taking the derivative with respect to the parameters of the kernel function. An alternate minimization method was used to iterate between segmentation, deconvolution and blur-kernel recovery. The performance of the proposed method was tested on clinic PET images of patients with non-Hodgkin's lymphoma, and compared with seven other segmentation methods using the dice similarity index (DSI) and volume error (VE). Results: Among all segmentation methods, the proposed one (DSI=0.81, VE=0.05) has the highest accuracy, followed by the active contours without edges (DSI=0.81, VE=0.25), while other methods including the Graph Cut and the Mumford-Shah (MS) method have lower accuracy. A visual inspection shows that the proposed method localizes the real tumor contour very well. Conclusion: The result showed that deconvolution and segmentation can contribute to each other. The proposed variational method solve the two problems simultaneously, and leads to a high performance for tumor segmentation in PET. This work was supported in part by National Natural Science Foundation of China (NNSFC), under Grant Nos. 60971112 and 61375018, and Fundamental Research Funds for the Central Universities, under Grant No. 2012QN086. Wei Lu was supported in part by the National Institutes of Health (NIH) Grant No. R01 CA172638.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Regulatory Gap Analysis of Select NUREG-0800 Chapters for Applicability to Molten Salt Reactors

The past licensing approach for advanced reactors was based on adapting the current LWR-based NRC process that exists today to the advanced reactor concept. This is the approach used by advanced technologies such as the Pebble Bed Reactor licensing application, the Clinch River Breeder Reactor licensing application, and more recently the NuScale licensing application. Current Standard Review Plan (SRP) guidance for large LWRs is available in NUREG-0800, Standard Review Plan for the Review of Safety Analysis Reports for Nuclear Power Plants: Light Water Reactor (LWR) Edition. However, the SRP is cumbersome to apply to liquid-fueled molten salt reactor (MSR) technologies. Therefore, a thoughtful licensing approach for MSRs is necessary.This report documents for DOE-NE an additional regulatory gap analysis of select chapters from the LWR SRP to further inform a generic nonpower MSR test program. Although the review process outlined in NUREG-0800 is LWR-specific, the plant functions and processes to be reviewed will be similar for the MSR. Therefore, a well-planned nonpower MSR test program can provide the performance data needed to better facilitate the eventual commercial-sized MSR review. The LWR SRP chapters dealing with the reactor, reactor coolant, engineered safety features, auxiliary systems, and waste management systems were reviewed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

GDSA PFLOTRAN Development (FY2021)

The Spent Fuel & Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is to develop a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2021 advances of the PFLOTRAN Development group of the SFWST Campaign. The mission of this group is to develop a geologic disposal system modeling capability for nuclear waste that can be used to probabilistically assess the performance of generic disposal concepts. In FY 2021, development proceeded along three main thrusts: software infrastructure, code performance, and process model advancement. Software infrastructure improvements included implementing an Agile software development framework and making improvements to the QA Test Suite. Code performance improvements included development of advanced linear and nonlinear solvers as well as design of flexible smoothing algorithms for capillary pressure functions. Process modeling advancements included the addition of flexible thermal conductivity function definitions and refinement of multi-continuum reactive transport to support Sandia’s participation in DECOVALEX

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

PFLOTRAN Development FY2021

The Spent Fuel & Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is to develop a disposal system modeling and analysis capability for valuating disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2021 advances of the PFLOTRAN Development group of the SFWST Campaign. The mission of this group is to develop a geologic disposal system modeling capability for nuclear waste that can be used to probabilistically assess the performance of generic disposal concepts. In FY 2021, development proceeded along three main thrusts: software infrastructure, code performance, and process model advancement. Software infrastructure improvements included implementing an Agile software development framework and making improvements to the QA Test Suite. Code performance improvements included development of advanced linear and nonlinear solvers as well as design of flexible smoothing algorithms for capillary pressure functions. Process modeling advancements included the addition of flexible thermal conductivity function definitions and refinement of multi-continuum reactive transport to support Sandia’s participation in DECOVALEX. This report fulfills the GDSA PFLOTRAN Development Work Package Level 3 Milestone – PFLOTRAN Development, FY2021, M3SF-21SN010304072.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1972

Dynamic load simulator

Concepts and techniques for identifying and simulating both the steady state and dynamic characteristics of electrical loads for use during integrated system test and evaluation are discussed. The investigations showed that it is feasible to design and develop interrogation and simulation equipment to perform the desired functions. During the evaluation, actual spacecraft loads were interrogated by stimulating the loads with their normal input voltage and measuring the resultant voltage and current time histories. Elements of the circuits were optimized by an iterative process of selecting element values and comparing the time-domain response of the model with those obtained from the real equipment during interrogation.

Joncas, K. P.↗