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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗
DOE OSTI2019

Coordinated Planning Strategy for Integrated Energy Systems in a District Energy Sector

With the ever-growing integration of diverse distributed energy resources, modern district energy sectors are transitioning into integrated energy systems (IESs), which generally consist of various energy carriers such as electric power, natural gas, and heat. Instead of modeling individual energy carriers, the emergence of IESs requires comprehensive consideration of all involved energy systems in both planning and operation phases. This paper proposes a comprehensive planning strategy for a district energy sector to address the challenges of IES planning considering the coupling of power, gas, and heat systems. The proposed planning model contains an operational module that develops a steady-state optimal multi-energy flow (OMEF) for the IES considered and a multi-stage expansion module that optimizes the investment decisions. To efficiently solve the proposed planning model, which is formulated as a mixed-integer nonlinear programming problem, an improved generalized Benders decomposition algorithm that utilizes dynamic dual multipliers to improve the convergence speed is employed. The effectiveness of the proposed planning model and the feasibility of the improved Benders decomposition algorithm are verified in case studies.

coordinated planning↗
DOE OSTI2022

Updates and Validation for the n+ 63,65 Cu Cross Sections [Abstract]

The neutron induced total, elastic, and capture cross sections of 63,65 Cu isotopes were selected for evaluation in the resolved and unresolved resonance energy ranges by the National Criticality Safety Program to resolve discrepancies related to benchmark performance. This is especially evident for the series of ZEUS benchmarks in which copper is used as a reflector. Because copper is also used as structural material in both fission and fusion reactors, the need to address benchmark discrepancies linked to nuclear data deficiencies is a task of primary importance. The aim of this work is to describe the steps of evaluation work towards a consistent improvement of the benchmark performance. The R-matrix analysis with the SAMMY code focused on the 63 Cu(n,γ) reaction channel between 100-300 keV coupled to unresolved resonance region parameters up to 650 keV to fit average cross section data from a recent experiment. Due to the high sensitivity of many benchmarks to elastic scattering angular distribution data, especially for the 65 Cu isotope, the impact of these data was tested by generating Legendre coefficients from both resonance parameters and the Hauser-Feshbach model. Guided by the findings of Shaw et al., the performance of the current evaluation for 65 Cu was compared to that of ENDF/B-VII.1 and ENDF/B-VIII.0 by testing the reactivity coefficients corresponding to the validation suite of experimental criticality benchmarks for thermal, intermediate, and fast systems taken from the International Criticality Safety Benchmark Experiments Project Handbook. The benchmark performance is especially sensitive to 63 Cu(n,γ) and 65 Cu elastic scattering for neutron energies in the 100–500 keV region, whereas 100 keV is the upper limit of the resolved resonance region in the ENDF/B-VIII.0 evaluations for 63,65 Cu. The results highlight the need to handle the transition from the resolved resonance region to the high energy region carefully.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS2011

Uncertainty Analysis in Space Radiation Protection

Space radiation is comprised of high energy and charge (HZE) nuclei, protons, and secondary radiation including neutrons. The uncertainties in estimating the health risks from galactic cosmic rays (GCR) are a major limitation to the length of space missions, the evaluation of potential risk mitigation approaches, and application of the As Low As Reasonably Achievable (ALARA) principle. For long duration space missio ns, risks may approach radiation exposure limits, therefore the uncertainties in risk projections become a major safety concern and methodologies used for ground-based works are not deemed to be sufficient. NASA limits astronaut exposures to a 3% risk of exposure induced death (REID) and protects against uncertainties in risks projections using an assessment of 95% confidence intervals in the projection model. We discuss NASA s approach to space radiation uncertainty assessments and applications for the International Space Station (ISS) program and design studies of future missions to Mars and other destinations. Several features of NASA s approach will be discussed. Radiation quality descriptions are based on the properties of radiation tracks rather than LET with probability distribution functions (PDF) for uncertainties derived from radiobiology experiments at particle accelerators. The application of age and gender specific models for individual astronauts is described. Because more than 90% of astronauts are never-smokers, an alternative risk calculation for never-smokers is used and will be compared to estimates for an average U.S. population. Because of the high energies of the GCR limits the benefits of shielding and the limited role expected for pharmaceutical countermeasures, uncertainty reduction continues to be the optimal approach to improve radiation safety for space missions.

Cucinotta, Francis A.↗
DOE OSTI2018

Potential energy surface of monatomic liquids

In the last decade, significant progress has been made in the many-body Hamiltonian formulation of liquid dynamics theory. Earlier analysis of experimental data for a wide variety of elemental liquids had provided the reliable but qualitative description of the atomic motion: vibrations in a representative 3N -dimensional potential energy valley, plus transits, in which atoms cross the intersections between these valleys. Recent comparisons of first-principles theory with experiment for several elemental liquids at melt revealed a highly accurate and versatile theory. In the present work, we report on an extensive quench study of the entire condensed-matter structure-energy distribution for a metallic Na MD system. With these results, all that was learned from experimental data is confirmed, refined in detail, and made more accurate. Here, we show the entire structure-energy distribution, composed of widespread symmetrics and higher lying randoms, we show the increasing dominance of the randoms as N increases, until the symmetrics vanish completely, and we show the random distribution continue its spectacular narrowing as N continues to increase. This behavior certifies our early assignment of the random distribution to the liquid phase and our prediction of macroscopic uniformity of the random structures. Procedures are discussed to identify and calibrate a single random structure to represent the liquid, and the role of the structure energy in liquid thermodynamics is described. A comparison with other liquid dynamics theories is observed in the Introduction, and the relation to the equation-of-state program is noted in the Conclusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1983

A probabilistic analysis of silicon cost

Silicon materials costs represent both a cost driver and an area where improvement can be made in the manufacture of photovoltaic modules. The cost from three processes for the production of low-cost silicon being developed under the U.S. Department of Energy's (DOE) National Photovoltaic Program is analyzed. The approach is based on probabilistic inputs and makes use of two models developed at the Jet Propulsion Laboratory: SIMRAND (SIMulation of Research ANd Development) and IPEG (Improved Price Estimating Guidelines). The approach, assumptions, and limitations are detailed along with a verification of the cost analyses methodology. Results, presented in the form of cumulative probability distributions for silicon cost, indicate that there is a 55% chance of reaching the DOE target of $16/kg for silicon material. This is a technically achievable cost based on expert forecasts of the results of ongoing research and development and do not imply any market prices for a given year.

Reiter, L. J.↗
NASA NTRS1986

Development of an emulation-simulation thermal control model for space station application

The orbiting space station being developed by NASA will have many thermal sources and sinks as well as requirements for the transport of thermal energy through large distances. The station is also expected to evolve over twenty or more years from an initial design. As the station evolves, thermal management will become more difficult. Thus, analysis techniques to evaluate the effects of changing various thermal loads and the methods utilized to control temperature distributions in the station are essential. Analysis techniques, including a user-friendly computer program, were developed which should prove useful to thermal designers and system analysts working on the space station. The program uses a data base and user input to compute costs, sizes, and power requirements for individual components and complete systems. User input consists of selecting mission parameters, selecting thermal acquisition configurations, transport systems and distances, and thermal rejection configurations. The capabilities of the program may be expanded by including additional thermal models as subroutines.

Hartley, James G.↗
NASA NTRS1989

Simplified calculation of solar flux distribution on the side wall of cylindrical cavity solar receivers

A simple solar flux calculation algorithm for a cylindrical cavity type solar receiver has been developed and implemented on an IBM PC-AT. Using cone optics, the contour error method is utilized to handle the slope error of a paraboloidal concentrator. The flux distribution on the side wall is calculated by integration of the energy incident from cones emanating from all the differential elements on the concentrator. The calculations are done for any set of dimensions and properties of the receiver and the concentrator, and account for any spillover on the aperture plate. The results of this algorithm compared excellently with those predicted by more complicated programs. Because of the utilization of axial symmetry and overall simplification, it is extremely fast. It can be esily extended to other axisymmetric receiver geometries.

Bhandari, P.↗
DOE OSTI2021

Cumulants and correlation functions of net-proton, proton, and antiproton multiplicity distributions in Au+Au collisions at energies available at the BNL Relativistic Heavy Ion Collider

Here, we report a systematic measurement of cumulants, C n , for net-proton, proton, and antiproton multiplicity distributions, and correlation functions, κ n , for proton and antiproton multiplicity distributions up to the fourth order in Au+Au collisions at $\sqrt{s_{NN}}$ = 7.7, 11.5, 14.5, 19.6, 27, 39, 54.4, 62.4, and 200 GeV. The C n and κ n are presented as a function of collision energy, centrality and kinematic acceptance in rapidity, y, and transverse momentum, p T . The data were taken during the first phase of the Beam Energy Scan (BES) program (2010–2017) at the BNL Relativistic Heavy Ion Collider (RHIC) facility. The measurements are carried out at midrapidity (|y| < 0.5) and transverse momentum 0.4 < p T < 2.0 GeV/c, using the STAR detector at RHIC. We observe a nonmonotonic energy dependence ($\sqrt{s_{NN}}$ = 7.7–62.4 GeV) of the net-proton C 4 /C 2 with the significance of 3.1σ for the 0–5% central Au+Au collisions. This is consistent with the expectations of critical fluctuations in a QCD-inspired model. Thermal and transport model calculations show a monotonic variation with $\sqrt{s_{NN}}$. For the multiparticle correlation functions, we observe significant negative values for a two-particle correlation function, κ 2 , of protons and antiprotons, which are mainly due to the effects of baryon number conservation. Furthermore, it is found that the four-particle correlation function, κ 4 , of protons plays a role in determining the energy dependence of proton C 4 /C 1 below 19.6 GeV, which cannot be understood by the effect of baryon number conservation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1979

Advanced thermionic energy conversion

Developments towards space and terrestrial applications of thermionic energy conversion are presented. Significant accomplishments for the three month period include: (1) devised a blade-type distributed lead design with many advantages compared to the stud-type distributed lead; (2) completed design of Marchuk tube test apparatus; (3) concluded, based on current understanding, that residual hydrogen should not contribute to a negative space charge barrier at the collector; (4) modified THX design program to include series-coupled designs as well as inductively-coupled designs; (5) initiated work on the heat transfer technology, THX test module, output power transfer system, heat transfer system, and conceptual plant design tasks; and (6) reached 2200 hours of operation in JPL-5 cylindrical converter envelope test.

Source record↗
DOE OSTI2023

Power System Wildfire Risks and Potential Solutions: A Literature Review & Proposed Metric

Several fire risk evaluation, fire tracking, and fire response resources are available. The risk metrics and fire response programs are sometimes modified to include a power system context. The risk metrics often evaluate the risk of fires causing power system faults or outages, especially on transmission systems. The response programs are modified to ensure the safety of power system equipment and first responders as well as to coordinate power system outages to both ensure safety during an active fire and prevent fire ignition during high risk periods. Although some aspects of wildfire responses have been adapted to include power system concerns, adaptations to power system operations and maintenance to include wildfire risks and responses are still nascent. In particular, a risk metric that evaluates the potential for power system components to ignite wildfires is needed to help guide power system upgrade efforts and power system fire safety measures. This document serves as a brief literature review of wildfire risk metrics and response programs and how they relate to power systems. It also includes a proposed risk metric and structure for describing the risk of a power system component igniting a fire.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling

Abstract A molecule's spectrum encodes information about its structure and electronic properties. It is a unique fingerprint that can serve as a molecular ID. Quantum chemistry calculations provide key ingredients for interpreting spectra, but modeling the spectra rarely ends there; it requires additional steps that entail combined treatments of electronic and nuclear degrees of freedom and account for specifics of the experimental setup (light energy, polarization, averaging over molecular orientations, temperature, etc.). This Software Focus article describes the ezSpectra suite, which currently comprises two stand‐alone open‐source codes: ezFCF and ezDyson . ezFCF calculates Franck–Condon factors, which yield vibrational progressions for polyatomic molecules, within the double‐harmonic approximation. ezDyson calculates absolute cross‐sections for photodetachment/photoionization processes and photoelectron angular distributions using Dyson orbitals computed by a quantum chemistry program. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Theoretical and Physical Chemistry > Spectroscopy Software > Simulation Methods

Gozem, Samer↗
DOE OSTI2025

Scalability and Effectiveness of Smart Charge Management

The rise in electric vehicle (EV) adoption presents growing challenges for power grids, particularly from simultaneous residential charging, which can cause voltage fluctuations and increase feeder peak loads. Baltimore Gas and Electric (BGE), with support from the U.S. Department of Energy, initiated a pilot program to evaluate managed residential EV charging through Smart Charge Management (SCM). This study analyzes real-world charging behavior data from the pilot and feeder-level base loads from BGE to simulate residential charging scenarios through 2035 across the Washington, DC–Baltimore region. Grid impacts under unmanaged charging are compared to three SCM strategies: TOU-immediate, TOU-distributed, and Load Balancing. Results show that the magnitude of peak reduction is highly feeder-dependent. Some feeders achieve reductions of more than 40% at high enrollment levels, while others show improvements closer to 10–15%. This heterogeneity reflects differences in baseline feeder load shapes, EV penetration, and plug-in behavior across customers. Results also highlight trade-offs between shifting load away from peak periods and minimizing secondary demand peaks, offering practical insights for future utility program design.

Electric vehicle↗
DOE OSTI2021

Stochastic Pricing Game for Aggregated Demand Response Considering Comfort Level

In recent years, demand response (DR) has been explored as a fundamental strategy for demand-side management due to its advantages in mediating intermittency of renewable energy generation, load shifting, etc. To engage customers in DR programs, several deterministic price-based DR strategies have been developed and implemented. However, the stochastic weather conditions and occupants' consumption behaviors often make the deterministic solution less robust to uncertainties. In this paper, with the consideration of the uncertainties, a stochastic Stackelberg game is proposed to model the price-demand negotiation between a distributed system operator and load aggregators, where the virtual battery constraints are extracted from the building thermostatically controlled loads (TCLs)‘ characteristics to guarantee comfortable TCLs' levels. Following the negotiation, a priority-based control method is used to allocate the optimal aggregated power DR profile at the building level and track the power signal. Several groups of experiments have demonstrated the effectiveness and robustness of the stochastic solutions.

Chen, Yang↗
DOE OSTI2019

Simulation of the NaGd(MoO{sub 4}){sub 2}–NaEu(MoO{sub 4}){sub 2} and Na{sub 2}Gd{sub 4}(MoO{sub 4}){sub 7}–Na{sub 2}Eu{sub 4}(MoO{sub 4}){sub 7} Solid Solutions by the Interatomic Potential Method

Simulation of the solid solutions in the system of double sodium–gadolinium and sodium–europium molybdates, which are promising matrices for solid state lasers and phosphors has been carried out by the method of interatomic potentials. Two types of solid solutions have been studied, one of which contains finite components corresponding to the stoichiometric NaGd(MoO{sub 4}){sub 2}–NaEu(MoO{sub 4}){sub 2} compositions with statistical distribution of cations in the crystal lattice. Another object is a cation-deficient Na{sub 2}Gd{sub 4}(MoO{sub 4}){sub 7}–Na{sub 2}Eu{sub 4}(MoO{sub 4}){sub 7} system, in which we have examined the variants of statistical distribution and partial ordering of cations over structural positions. Atomistic simulation has been performed using the GULP 4.0.1 software package (General Utility Lattice Program). It is shown that when we pass from sodium-gadolinium molybdate to sodium-europium molybdate, both of stoichiometric and cation-deficient compositions, an increase in the unit cell volume is observed, while the density of the crystal, the energy of interatomic interactions in the structure, the vibrational entropy and the heat capacity decrease along with increasing europium content. The energy of interatomic interactions in the structure for cation-deficient solid solutions is less than for stoichiometric ones. Other aforementioned characteristics for cation-deficient solid solutions have greater values than for stoichiometric ones. The role of cluster europium centers in concentration quenching in NaGd(MoO{sub 4}){sub 2}–NaEu(MoO{sub 4}){sub 2} solid solutions has been examined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Hosting Capacity Improvement Method Using MV–MV Solid-State-Transformer

As a large number of distributed generations are connected to the distribution system, research on the hosting capacity is actively being conducted. In particular, various methods, such as smart inverter functionality, co-located energy storage systems (ESS), and the use of on-load tap changers (OLTC), have been proposed to improve the hosting capacity. In this paper, a method to improve the hosting capacity by utilizing a solid-state transformer (SST) and its unique control capability is proposed. Lastly, the proposed method is verified in the distribution system of the Republic of Korea using the OpenDSS program.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1992

Experiments and analysis concerning the use of external burning to reduce aerospace vehicle transonic drag

The external combustion of hydrogen to reduce transonic drag was investigated. A control volume analysis is developed and indicates that the specific impulse performance of external burning is competitive with other forms of airbreathing propulsion and depends on the fuel-air ratio, freestream Mach number, and the severity of the base drag. A method is presented for sizing fuel injectors for a desired fuel-air ratio in the unconfined stream. A two-dimensional Euler analysis is also presented which indicates that the total axial force generated by external burning depends on the total amount of energy input and is independent of the transverse and streamwise distribution of heat addition. Good agreement between the Euler and control volume analysis is demonstrated. Features of the inviscid external burning flowfield are discussed. Most notably, a strong compression forms at the sonic line within the burning stream which may induce separation of the plume and prevent realization of the full performance potential. An experimental program was conducted in a Mach 1.26 free-jet to demonstrate drag reduction on a simple expansion ramp geometry, and verify hydrogen-air stability limits at external burning conditions. Stable combustion appears feasible to Mach number of between 1.4 and 2 depending on the vehicle flight trajectory. Drag reduction is demonstrated on the expansion ramp at Mach 1.26; however, force levels showed little dependence on fuel pressure or altitude in contrast to control volume analysis predictions. Various facility interference mechanisms and scaling issues were studied and are discussed.

Trefny, Charles J.↗
NASA NTRS1992

Forster energy transfer in chlorosomes of green photosynthetic bacteria

Energy transfer properties of whole cells and chlorosome antenna complexes isolated from the green sulfur bacteria Chlorobium limicola (containing bacteriochlorophyll c), Chlorobium vibrioforme (containing bacteriochlorophyll d) and Pelodictyon phaeoclathratiforme (containing bacteriochlorophyll e) were measured. The spectral overlap of the major chlorosome pigment (bacteriochlorophyll c, d or, e) with the bacteriochlorophyll a B795 chlorosome baseplate pigment is greatest for bacteriochlorophyll c and smallest for bacteriochlorophyll e. The absorbance and fluorescence spectra of isolated chlorosomes were measured, fitted to gaussian curves and the overlap factors with B795 calculated. Energy transfer times from the bacteriochlorophyll c, d or e to B795 were measured in whole cells and the results interpreted in terms of the Forster theory of energy transfer.

NASA Program Exobiology↗