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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Compensating cylindrical Hohlraum mode 4 asymmetry via capsule thickness tailoring and effects on implosions

We report previously, hydrodynamic simulations suggested that precisely tailoring the capsule ablator thickness (shimming) could counterbalance cylindrical Hohlraum Legendre P 4 drive asymmetries at the capsule in laser indirect drive implosions. As a result, the stagnated deuterium–tritium (DT) fuel areal density P 4 asymmetry is reduced, potentially resulting in a nuclear yield increase. Inflight radiographs of various level of shimmed capsules with plastic (CH) ablators showed that shims can indeed control the in-flight capsule shell P 4 asymmetry, with a linear sensitivity to shim amplitude that is close to analytic estimates and simulations. Furthermore, the stagnated DT fuel areal density P 4 asymmetry inferred from downscattered neutron imaging was reduced when the capsule shim was applied, in agreement with simulations matching the inflight shell asymmetry. A nuclear yield improvement via shim was not observed, as predicted, likely due to implosion instabilities and as built capsule shim deviations from an ideal P 4 shape.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1977

Densities and temperatures in the polar thermosphere

The atomic oxygen density at 120 km, the 630 nm airglow temperature, the helium density at 300 km and the molecular nitrogen density near 400 km were examined as functions of geomagnetic latitude, geomagnetic time, season and magnetic activity level. The long-term averages of these quantities were examined so as to provide a baseline of these thermospheric parameters from which future studies may be made for comparison. The hours around magnetic noon are characterized by low temperatures, high 0 and He densities, and median nitrogen densities. The pre-midnight hours exhibit high temperatures, high He density, low nitrogen density and median 0 densities. The post-midnight sector shows low 0 and He densities, median temperatures and high nitrogen densities. These results are compared to recent models and observations and are discussed with respect to their causes due to divergence of the wind field and energy deposition in the thermosphere.

Gardner, L. J.↗
DOE OSTI2023

A Hot‐Swappable, Fault‐Tolerant, Modular Power Converter System for Solar Photovoltaic Plants

The performance metrics of the state-of-the-art commercial solar inverters, such as system cost, operation and maintenance (O&M) cost, service life, reliability, maintainability, and power density are much lower than the target metrics needed to achieve SunShot’s 2030 levelized cost of energy (LCOE) goals. To overcome the shortcomings of the existing solar inverters, this project proposed a novel Hot-Swappable, Fault-Tolerant, Modular Power Converter (HSFT-MPC) concept for solar photovoltaic (PV) plants and proved the concept through the design, fabrication, and laboratory test validation of a single-phase HSFT-MPC prototype. The HSFT-MPC has the following distinct advantages over the state-of-the-art: 1) elimination of harmonic/ electromagnetic interference (EMI) filter in the inverter stage due to the novel topology, 2) lower system cost and higher power density due to the modular design, elimination of harmonic/EMI filter, and lower cooling requirement, 3) higher efficiency due to lower switching frequencies, 4) higher reliability and longer (50 years) service life due to simpler cooling and fault tolerance capability, 5) easier installation, lower O&M cost, and improved maintainability due to the modular design and hot-swappable power electronic building blocks (PEBBs), and 6) improved manufacturability due to the modular design. This project developed a single-phase HSFT-MPC prototype with 25kW nominal output power, 2.4kV, 60Hz nominal AC output, lower than 5% AC output voltage total harmonic distortion, over 5 kW/L inverter power density, and 99.4% inverter peak efficiency, being tolerant to failure of single and multiple PEBBs, and capable of hot swapping of the failed PEBB(s). The HSFT-MPC enables uninterruptable operation of the solar PV plant when failure of single or multiple PEBBs or PV modules occurs. Compared with the existing solar inverters in the market, the HSFT-MPC is expected to reduce the inverter failure-caused downtime and energy losses of solar PV plants by more than 60% and 50%, respectively. Project findings have been presented at major conferences in the field and published in peer-reviewed papers, which added new knowledge to the field of power electronics for solar PV systems. A minicourse on Solar PV Systems was developed for outreach activities. The minicourse will help attract young individuals to the renewable energy profession which has a significant talent shortage. The HSFT-MPC is expected to overcome all of the shortcomings of the state-of-the-art solar inverters in terms of cost, efficiency, service life, reliability, maintainability, and manufacturability targets needed to achieve SunShot’s 2030 LCOE goals. Therefore, the proposed HSFT-MPC concept has the great potential to disrupt the current solar inverter market. This project created a pathway towards industry adoption of the HSFT-MPC to help achieve 50-year service life solar PV systems. Since the solar PV plants using the HSFT-MPC will feature with higher reliability, longer service life, and easier maintenance, they are particularly useful for the rural areas with underserved populations that demand reliable and affordable clean electricity. The outcomes of the project have the strong potential to address national needs in the field of renewable energy to reduce CO 2 emissions from the electricity sector, reduce imports of energy from foreign sources, and improve energy security, efficiency, and sustainability. Since electricity is used in almost all of society’s sectors, the outcomes of the project will benefit various sectors of society and economy.

14 SOLAR ENERGY↗
NASA NTRS1995

Analysis of Static Spacecraft Floating Potential at Low Earth Orbit (LEO)

Spacecraft floating potential is the charge on the external surfaces of orbiting spacecraft relative to the space. Charging is caused by unequal negative and positive currents to spacecraft surfaces. The charging process continues until the accelerated particles can be collected rapidly enough to balance the currents at which point the spacecraft has reached its equilibrium or floating potential. In low inclination. Low Earth Orbit (LEO), the collection of positive ion and negative electrons. in a particular direction. are typically not equal. The level of charging required for equilibrium to be established is influenced by the characteristics of the ambient plasma environment. by the spacecraft motion, and by the geometry of the spacecraft. Using the kinetic theory, a statistical approach for studying the interaction is developed. The approach used to study the spacecraft floating potential depends on which phenomena are being applied. and on the properties of the plasma. especially the density and temperature. The results from kinetic theory derivation are applied to determine the charging level and the electric potential distribution at an infinite flat plate perpendicular to a streaming plasma using finite-difference scheme.

Herr, Joel L.↗
NASA NTRS1975

Electron density profiles from ionograms - Underlying ionization corrections and their comparison with rocket results

Electron density profiles from nine daytime rocket flights at Wallops Island, Va., conducted at high and low levels of solar activity are compared with profiles calculated by inversion of ionograms obtained at the same times and location. Sources of error and uncertainty in the ionogram inversion are discussed, as are means for their amelioration. In most cases, agreement between the two kinds of measurement within a few percent in electron density and within a few percent of a scale height can be achieved.

Wright, J. W.↗
DOE OSTI2020

Substrate-Dependent Band Structures in Trilayer Graphene / h - BN Heterostructures

The tight-binding model has been spectacularly successful in elucidating the electronic and optical properties of a vast number of materials. Within the tight-binding model, the hopping parameters that determine much of the band structure are often taken as constants. Here, using ABA-stacked trilayer graphene as the model system, we show that, contrary to conventional wisdom, the hopping parameters and therefore band structures are not constants, but are systematically variable depending on their relative alignment angle between h-BN. Moreover, the addition or removal of the h-BN substrate results in an inversion of the K and K' valley in trilayer graphene’s lowest Landau level. Our work illustrates the oft-ignored and rather surprising impact of the substrates on band structures of 2D materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Role of the junction voltage on the overflow current in light-emitting diodes

Quantum-well (QW)-based light emitters, such as light-emitting diodes (LEDs) and lasers, of various semiconductor materials experience a reduction in their efficiency when operating at higher temperatures, a phenomenon referred to as “thermal droop.” Among the various claims on the origins of thermal droop, an increased overflow current with increasing temperatures is a common contender. Since overflow of carriers can only occur when the junction voltage 𝑉 Junction approaches the built-in voltage 𝑉 BI of any diodes, we develop a simple method relating the difference between 𝑉 Junction and 𝑉 BI to approximate the upper limit of overflow occurring in QW-based light-emitting diodes. The measured difference between 𝑉 Junction and 𝑉 BI of state-of-the-art commercial blue and green In⁢Ga⁢N-based LEDs at temperatures up to ∼450 K suggests negligible overflow. To further experimentally verify the absence of overflow, we perform temperature-dependent electron emission spectroscopy on the same commercial blue and green LEDs and find no evidence of thermally enhanced overflow carriers up to ∼450 K. In agreement with our claims that 𝑉 Junction must approach 𝑉 BI for overflow to occur, two-dimensional temperature-dependent electrical simulations of violet, blue, and green LEDs including alloy disorder and V-defects demonstrate that overflow can be significant in violet LEDs, where the small band offset between the In⁢Ga⁢N QW and Ga⁢N cladding layers due to the larger QW bandgap requires larger 𝑉 Junction to reach standard operating current densities, thereby approaching 𝑉 BI . By contrast, simulations indicate that overflow is negligible in blue and green LEDs, whose smaller QW bandgaps result in smaller quasi-Fermi levels difference to reach significant carrier injection, resulting in a 𝑉 Junction much smaller than 𝑉 BI up to large operating current densities. Considering that overflow is negligible in blue and longer-wavelength LEDs, and our observations of the large thermal droop occurring at low current densities, where Shockley-Read-Hall (SRH) recombination dominates, we conclude that thermally enhanced SRH processes are the most significant contributor to thermal droop. Finally, we also simulate the carrier densities in the different QWs of a multiple-QW LED and observe a reduction in the total carrier density at a given operating current density, which results in a decrease in the total Auger-Meitner current of the LED from just the thermally enhanced carrier redistribution among QWs without taking any possible additional temperature dependence of their recombination coefficients. Taking all this into account, minimizing thermal droop effects in LEDs can be achieved by a reduction in defect density, using wider band gap p-n junction-defining cladding layers, and operating at higher currents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Pressure and current balance conditions during electron beam injections from spacecraft

Electrostatic charging level of a conducting surface in response to injections of electron beams into space plasma is investigated by means of one-dimensional Vlasov code. Injections of Maxwellian beams into a vacuum shows that the surface can charge up to an electric potential phi sub s greater than W sub b, where W sub b is the average electron beam energy. Since Maxwellian beams have extended trails with electrons having energies greater than W sub b, it is difficult to quantify the charging level in terms of the energies of the injected electrons. In order to quantitatively understand the charging in excess of W sub b, simulations were carried out for water-bag types of beam with velocity distribution functions described by f(V) = A for V sub min approx. less than V approx. less than V sub max and f(V) = O otherwise, where A is a constant making the normalized beam density unity. It is found that V sub max does not directly determine the charging level. The pressure distribution in the electron sheath determines the electric field distribution near the surface. The electric field in turn determines the electrostatic potential of the vehicle. The pressure distribution is determined by the beam parameters such as the average beam velocity and the velocity spread of the beam.

Hwang, K. S.↗
DOE OSTI2020

Design for Additive Manufacturing: Exploring Remelt Strategies to Tailor Density and Microstructure

The potential advantages of AM (e.g. weight reduction, novel geometries) are well understood within a systems context. However, adoption of AM at the system level has been slow due to the relative uncertainty in the final material properties, which leaves capabilities and/or performance gains unrealized. Utilizing remelt strategies it may be possible to expand the available process window to provide densities and microstructures beyond what is capable with standard scan strategies. This work explored remelting strategies for 316L stainless steel to tailor grain size and increase density. Twelve scan strategies were explored experimentally and computationally to understand the limitations of remelt strategies and the robustness of the current simulation package. Results show tailoring of grain size, density, and texture is achievable through remelting and several key lessons learned were made to improve the texture evaluation through simulation.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Optimum element density studies for finite-element thermal analysis of hypersonic aircraft structures

Different finite element models previously set up for thermal analysis of the space shuttle orbiter structure are discussed and their shortcomings identified. Element density criteria are established for the finite element thermal modelings of space shuttle orbiter-type large, hypersonic aircraft structures. These criteria are based on rigorous studies on solution accuracies using different finite element models having different element densities set up for one cell of the orbiter wing. Also, a method for optimization of the transient thermal analysis computer central processing unit (CPU) time is discussed. Based on the newly established element density criteria, the orbiter wing midspan segment was modeled for the examination of thermal analysis solution accuracies and the extent of computation CPU time requirements. The results showed that the distributions of the structural temperatures and the thermal stresses obtained from this wing segment model were satisfactory and the computation CPU time was at the acceptable level. The studies offered the hope that modeling the large, hypersonic aircraft structures using high-density elements for transient thermal analysis is possible if a CPU optimization technique was used.

Ko, William L.↗
NASA NTRS1987

Recombination-line intensities for hydrogenic ions. I - Case B calculations for H I and He II

Assuming Case B of Baker and Menzel (1938), the relative intensities of H I and He II recombination lines are determined for a larger range of temperature and density than previously considered and with the upper principle quantum number up to 50 and the lower number up to 29. Full collisional effects are included, and new collision strengths for the n = 1, 2, and 3 states of He(+) are presented. Case B theory is found to be invalidated for collisional excitation of the n = 3 levels from both n = 1 and n = 2 states under certain conditions which depend upon electron density and the Lyman-alpha escape probability, and the regimes of temperature and density for which Case B is valid are also considered.

Hummer, D. G.↗
DOE OSTI2024

Density scaling approximation for Monte-Carlo simulations of radioactive plumes

The release of radioactive gas into the atmosphere can diffuse into large volumes of air downwind from the point of release. The extent of radioactivity can cover thousands of cubic meters of air. For such large volumes, the weather models used to predict the down-wind distribution of the plume and the radiation transport models used to predict the radiation reaching ground-level from the plume can take tens of hours of computer time on multi-node institutional High-Performance Computing facilities. In this paper we focus on the radiation transport aspect of plume modeling. Here, we describe a phenomenological method for approximating the amounts of radiation that reach ground level from large volumes of a static radioactive plume that can be calculated on a stand-alone personal computer in much shorter computation times than those usually needed for such large volume evaluations. We refer to this method as the Density Scaling Approximation (DSA). Its ability to approximate ground-level count rates of large plumes comes from using a small-plume volume with a scaled-up value of air density to simulate the same number of scatterings that occur during transport in larger plume volumes at normal air density. We demonstrate the DSA by using a 100 m-diameter air-filled hemispherical dome geometry with a uniform volumetric activity of 135 Xe gas throughout the air-filled volume. The DSA for a larger dome diameter is obtained by evaluating the 100 m dome with an air density scaled up by the linear ratio of the larger diameter to the 100 m diameter. We find that this approximation works well for dome diameters up to 1200 m – the largest diameter studied and a size more than sufficient for accounting for all the radiation from 135 Xe. Moreover, most of our DSA results can be calculated over 500 times faster than corresponding full-sized geometry with normal air density. To help evaluate the accuracy of the DSA and gain insight into how well it can reproduce different regions of the spectra, we use three, easily understood regions of interest to compare the DSA results to the full-sized geometry at normal air density results. These regions are the full-energy peak, the region of single-Compton scattering, and the region of multiple-Compton scattering. We show how the dominance of the Compton scattering mechanism determines this division and thus provides insight into how Compton scattering is manifested in spectra from photon scattering through air in general, and how well the DSA approximation works.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Direct observation of a magnetic-field-induced Wigner crystal

Wigner predicted that when the Coulomb interactions between electrons become much stronger than their kinetic energy, electrons crystallize into a closely packed lattice. A variety of two-dimensional systems have shown evidence for Wigner crystals (WCs). However, a spontaneously formed classical or quantum WC has never been directly visualized. Neither the identification of the WC symmetry nor direct investigation of its melting has been accomplished. Here we use high-resolution scanning tunnelling microscopy measurements to directly image a magnetic-field-induced electron WC in Bernal-stacked bilayer graphene and examine its structural properties as a function of electron density, magnetic field and temperature. At high fields and the lowest temperature, we observe a triangular lattice electron WC in the lowest Landau level. The WC possesses the expected lattice constant and is robust between filling factor ν ≈ 0.13 and ν ≈ 0.38 except near fillings where it competes with fractional quantum Hall states. Increasing the density or temperature results in the melting of the WC into a liquid phase that is isotropic but has a modulated structure characterized by the Bragg wavevector of the WC. At low magnetic fields, the WC unexpectedly transitions into an anisotropic stripe phase, which has been commonly anticipated to form in higher Landau levels. Furthermore, analysis of individual lattice sites shows signatures that may be related to the quantum zero-point motion of electrons in the WC lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Density Functional Tight-Binding Simulations Reveal the Presence of Surface Defects on the Quartz (101)–Water Interface

Understanding the structure and reactivity of quartz–water interfaces is critical for numerous applications in the geological, environmental, and biological sciences. However, disagreements on the atomic-level structure of the interfaces between experiments and simulations are hampering our ability to predict the surface reactivity. Here, we used density functional tight-binding (DFTB)-based molecular dynamics to simulate a series of quartz (101) surfaces having different types and densities of surface defects in water and compared them with the structures determined by X-ray reflectivity measurements. The DFTB simulations are able to reproduce previous classical and quantum mechanical predictions of the pristine quartz (101)–water interface that disagree with experimental observations. To remedy this situation, a set of defective quartz surfaces having various surface silicon (Si) vacancies were built as indicated by recent experimental studies. We found that the rotation of surface [SiO 4 ] tetrahedra near Si vacancies can lead to outward displacements of Si atoms similar to those observed in the experiments. The presence of additional surface Si vacancies caused inward relaxations of terminal oxygens through the formation of hydrogen bonds. Finally, the overall results indicate that the quartz (101)–water interface may include a mixture of geminal (≡Si–(OH) 2 )- and vicinal (≡Si–OH)-type silanol groups together with the presence of surface Si vacancies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations

We recently proposed Domain Separated Density Functional Theory (DS-DFT), a framework that allows for the combination of different levels of theory for the computation of the electronic structure of molecules. Here, this work discusses the application of DS-DFT to the computation of transition-state energy barriers and optical absorption spectra. We considered several hydrogen abstraction reactions and optical spectra of molecule/metal cluster systems, including the absorption of individual species such as carbon monoxide, methane, and molecular hydrogen to a Li6 cluster. We present and discuss two domain-separated methods: i), the screened-density approximation (SDA), and, ii), linearly weighted exchange (LWE). We find that SDA, which is applied as a hybridization based on atomic domains, could be useful to computing energy barriers, whereas LWE is suited for the analysis of electronic properties such as ground-state gaps, excitation energies, and oscillator strengths.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Hole-Transport Layer for High Current Density and Stability of Sn-Pb Perovskites and All-Perovskite Tandem Solar Cells

Sn-Pb perovskites are essential for achieving efficient single-junction solar cells and all-perovskite tandem solar cells (APTSCs). Although Sn oxidation and defective surfaces were once major limitations, recent advances in intrinsic material quality have largely mitigated these issues. As a result, the HTL-related interface is now regarded as the primary bottleneck for device performance. To address the intrinsic drawbacks of PEDOT:PSS, chemical surface modification and additive strategies have been widely applied, and alternative HTLs, like polymeric, inorganic, or small-molecule HTLs, have also gained attention. These approaches offer improved energy-level alignment, high transparency, and enhanced chemical durability, leading to higher short-circuit current density and longer operational lifetime in both single-junction and tandem devices. In this Perspective, we highlight the key criteria and practical effects of HTL materials suitable for Sn-Pb perovskites.

14 SOLAR ENERGY↗
DOE OSTI2024

Designing electrolytes with high solubility of sulfides/disulfides for high-energy-density and low-cost K-Na/S batteries

Alkaline metal sulfur (AMS) batteries offer a promising solution for grid-level energy storage due to their low cost and long cycle life. However, the formation of solid compounds such as M 2 S 2 and M 2 S (M = Na, K) during cycling limits their performance. Here we unveil intermediate-temperature K-Na/S batteries utilizing advanced electrolytes that dissolve all polysulfides and sulfides (K 2 S x , x = 1–8), significantly enhancing reaction kinetics, specific capacity, and energy density. These batteries achieve near-theoretical capacity (1655 mAh g -1 sulfur) at 75 °C with a 1 M sulfur concentration. At a 4 M sulfur concentration, they deliver 830 mAh g -1 at 2 mA cm -2 , retaining 71% capacity after 1000 cycles. This new K-Na/S battery with specific energy of 150-250 Wh kg -1 only employs earth-abundant elements, making it attractive for long-duration energy storage.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Development of SAM Code Capabilities for Safety Analysis of GCR Air-ingress Events

Air-ingress following a depressurized loss-of-forced-cooling (DLOFC) event is a challenging, multiphysics safety scenario for High-Temperature Gas-Cooled Reactors (HTGRs), involving coupled gas composition transport, buoyancy-driven flow redistribution, graphite oxidation, and structural heat-up. Despite its importance — air ingress is a key scenario identified in the PIRT process for the HTGRs — existing system-level safety codes have lacked the integrated capability to simulate the complete event sequence with high confidence. This report documents the development, validation, and demonstration of three new capabilities in the SAM code to address this gap: (1) a multi-component gas mixture flow model with binary diffusion to track the helium-air composition and its effect on system density and flow; (2) a 0-D graphite oxidation model based on the Roes correlation, including oxygen consumption and exothermic heat release; and (3) an isentropic critical flow model for accurate representation of primary system depressurization through a break. These capabilities are validated against two benchmark experiments. The NSTF heavy-gas ingress experiment validates the multi-component flow model: SAM correctly reproduces the rapid buoyancydriven flow stagnation and subsequent natural circulation recovery driven by composition-dependent density changes. The NACOK graphite oxidation experiment validates the oxidation model: SAM predicts a bottom-level graphite weight loss of 25%, in close agreement with the measured 24%, and reproduces the strong axial nonuniformity and block-geometry dependence of oxidation, at a level comparable to the SPECTRA and TINTE codes. The validated capabilities are then exercised together in an integrated, reactor-scale simulation of a DLOFC air-ingress transient in a simplified HTR-PM pebble-bed reactor. In a single calculation spanning approximately 8 days, SAM reproduces the complete accident sequence: rapid depressurization, densityand diffusion-driven air ingress over ˜15 hours, onset of buoyancy-driven natural circulation, exothermic graphite oxidation with a peak fuel temperature at ˜62 hours, and eventual passive cooldown. These results demonstrate that SAM now provides the nuclear community with a preliminarily validated, modern systemlevel tool for HTGR air-ingress safety analysis, filling a recognized capability gap. Future extensions to broaden species tracking, improve oxidation chemistry, and refine the reactor model are discussed.

Yang, Gang↗