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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Mesoscale Convective Systems Modulated by Convectively Coupled Equatorial Waves

Mesoscale convective systems (MCSs) produce over 50% of tropical precipitation and account for the majority of extreme rainfall and flooding events. MCSs are considered the building blocks of larger-scale convectively coupled equatorial waves (CCEWs). While CCEWs can provide favorable environments for convection, how CCEWs can systematically impact organized convection and thereby MCS characteristics is less clear. We examine this question by analyzing a global MCS tracking data set. During the active phase of CCEWs, MCS frequency increases and MCSs rain harder, produce more lifetime total rain, and grow larger in size. The probability of extreme MCSs also elevates. These changes are most pronounced when MCSs are associated with Kelvin waves and tropical depression-type waves while less so with the Madden-Julian Oscillation. Furthermore, these results can be benchmarks to improve model representation of MCS interactions with large-scale circulations and can be leveraged for operational forecasts of high-impact MCSs at extended lead times.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

On the mechanism of soot nucleation

The mechanism of carbon particulate (soot) inception has been a subject of numerous studies and debates. The article begins with a critical review of prior proposals, proceeds to the analysis of factors enabling the development of a meaningful nucleation flux, and then introduces new ideas that lead to the fulfillment of these requirements. In the new proposal, a rotationally-activated dimer is formed in the collision of an aromatic molecule and an aromatic radical; the two react during the lifetime of the dimer to form a stable, doubly-bonded bridge between them, with the reaction rooted in a five-member ring present on the molecule edge. Several such reactions were examined theoretically and the most promising one generated a measurable nucleation flux. The consistency of the proposed model with known aspects of soot particle nanostructure is discussed. Here, the foundation of the new model is fundamentally the H-Abstraction-Carbon-Addition (HACA) mechanism with the reaction affinity enhanced by rotational excitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Investigating Various Failure Models on Commercial Silicon Carbide

Structures and components made from ceramic materials are often brittle and can fail by the unstable growth of existing flaws such as voids and cracks. There have been several failure criteria developed for ceramics, in the past and they are broadly categorized based on their dependency on crack geometry. The present work implements eight failure criteria using an open-source software package – srlife, which predicts the lifetime or failure probability of concentrated solar power (CSP) structural components. The present work also checks the viability of building a ceramic CSP receiver, by analyzing the reliability predictions from srlife for a SiC ceramic. The reliability predictions for a biaxial loading problem indicated the Shetty Mixed-Mode criterion gives the most conservative predictions. Whereas, in case of the CSP receiver, the predictions show that the co-planar strain energy criterion gives the most conservative predictions as it is agnostic towards the type of stress, and therefore, is not recommended to be used designing ceramic receivers.

Chaugule, Pawan (ORCID:0000000275706572)↗
DOE OSTI2022

Active rotor coning for a 25 MW downwind offshore wind turbine

A two-bladed downwind turbine system was upscaled from 13.2 MW to 25 MW by redesigning aerodynamics, structures, and controls. In particular, three 25-MW rotors were developed, and the final version is a fully redesigned model of the original rotor. Despite their radically large sizes, it was found that these 25-MW turbine rotors satisfy this limited set of structural design drivers at the rated condition and that larger blade lengths are possible with conewise load-alignment. In addition, flapwise morphing (varying the cone angle with a wind-speed schedule) was investigated to minimize mean and fluctuating blade root bending loads using steady inflow proxies for the maximum and lifetime damage equivalent load moments. Compared to the fixed coned rotor case, morphing can provide an Annual Energy Production (AEP) increase of 6%, and the maximum blade root flapwise bending moment increases 21% (still under the constraint, i.e., 10% of the ultimate moments) as a trade-off. The resulting series of 25-MW rotors can be a valuable baseline for further development and assessment of ultra-large-scale wind turbines.

17 WIND ENERGY↗
DOE OSTI2023

Measurement of the branching fraction of ${\textrm{D}}_{\textrm{s}}^{+}$ → τ + ν τ via τ + → μ+ν μ $\overline{\nu}$τ

Utilizing 7 . 33 fb - 1 of e + e - collision data taken at the center-of-mass energies of 4.128, 4.157, 4.178, 4.189, 4.199, 4.209, 4.219, and 4.226 GeV with the BESIII detector, the branching fraction of the leptonic decay ${D}_s^{+}$ → τ + ν τ via τ + → μ + ν μ $\overline{\nu}$ τ is measured to be ${\mathcal{B}}_{D_s^{+}\to {\tau}^{+}{\nu}_{\tau }}$ = (5 . 37 ± 0 . 17 stat ± 0 . 15 syst )%. Combining this branching fraction with the world averages of the measurements of the masses of τ + and ${D}_s^{+}$ as well as the lifetime of ${D}_s^{+}$, we extract the product of the decay constant of ${D}_s^{+}$ and the c → s Cabibbo-Kobayashi-Maskawa matrix element to be ${f}_{D_s^{+}}$ |V cs | = (246 . 7 ± 3 . 9 stat ± 3 . 6 syst ) MeV. Taking |V cs | from a global fit in the standard model we obtain ${f}_{D_s^{+}}$ = (253 . 4 ± 4 . 0 stat ± 3 . 7 syst ) MeV. Conversely, taking ${f}_{D_s^{+}}$ from lattice quantum chromodynamics calculations, we obtain |V cs | = 0 . 987 ± 0 . 016 stat ± 0 . 014 syst .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Radiative Forcing From the 2014–2022 Volcanic and Wildfire Injections

Abstract Volcanic and wildfire events between 2014 and 2022 injected ∼3.2 Tg of sulfur dioxide and 0.8 Tg of smoke aerosols into the stratosphere. With injections at higher altitudes and lower latitudes, the simulated stratospheric lifetime of the 2014–2022 injections is about 50% longer than the volcanic 2005–2013 injections. The simulated global mean effective radiative forcing (ERF) of 2014–2022 is −0.18 W m −2 , ∼40% of the ERF of the period of 1991–1999 with a large‐magnitude volcanic eruption (Pinatubo). Our climate model suggests that the stratospheric smoke aerosols generate ∼60% more negative ERF than volcanic sulfate per unit aerosol optical depth. Studies that fail to account for the different radiative properties of wildfire smoke relative to volcanic sulfate will likely underestimate the negative stratospheric forcings. Our analysis suggests that stratospheric injections offset 20% of the increase in global mean surface temperature between 2014–2022 and 1999–2002.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Defect characterization and charge transport measurements in high-resolution Ni/n-4H-SiC Schottky barrier radiation detectors fabricated on 250 μ m epitaxial layers

Advances in the growth processes of 4H-SiC epitaxial layers have led to the continued expansion of epilayer thickness, allowing for the detection of more penetrative radioactive particles. In this work, we report the fabrication and characterization of high-resolution Schottky barrier radiation detectors on 250 μm thick n-type 4H-SiC epitaxial layers, the highest reported thickness to date. Several 8 × 8 mm 2 detectors were fabricated from a diced 100 mm diameter 4H-SiC epitaxial wafer grown on a conductive 4H-SiC substrate with a mean micropipe density of 0.11 cm -2 From the Mott–Schottky plots, the effective doping concentration was found to be in the range (0.95–1.85) × 10 14 cm -3 , implying that full depletion could be achieved at ~5.7 kV (0.5 MV/cm at the interface). The current-voltage characteristics demonstrated consistently low leakage current densities of 1–3 nA/cm 2 at a reverse bias of -800 V. This resulted in the pulse-height spectra generated using a 241Am alpha source (5486 keV) manifesting an energy resolution of less than 0.5% full width at half maximum (FWHM) for all the detectors at -200 V. The charge collection efficiencies (CCEs) were measured to be 98–99% with no discernable correlation to the energy resolution. A drift-diffusion model fit to the variation of CCE as a function of bias voltage, revealed a minority carrier diffusion length of ~10 μm. Deep level transient spectroscopy measurements on the best resolution detector revealed that the excellent performance was the result of having ultralow concentrations of the order of 1011 cm-3 lifetime limiting defects—Z 1/2 and EH 6/7 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Stabilizing Non-Abelian Topological Order Against Heralded Noise via Local Lindbladian Dynamics

An important open question for the current generation of highly controllable quantum devices is understanding which phases can be realized as stable steady states under local quantum dynamics. In this work, we show how robust steady-state phases with both Abelian and non-Abelian mixed-state topological order can be stabilized, in two spatial dimensions, against generic “heralded” noise using active dynamics that incorporate measurement and feedback, modeled as a fully local Lindblad master equation. These topologically ordered steady states are two-way connected to pure topologically ordered ground states using local quantum channels, and preserve quantum information for a time that is exponentially large in the system size. Specifically, we present explicit constructions of families of local Lindbladians for both Abelian (ℤ 2 ) and non-Abelian (𝐷 4 ) topological order whose steady states host mixed-state topological order when the noise is below a threshold strength. As the noise strength is increased, these models exhibit first-order transitions to intermediate mixed-state phases where they encode robust classical memories, followed by (first-order) transitions to a trivial steady state at high noise rates. When the noise is imperfectly heralded, steady-state order disappears but our active dynamics significantly enhances the lifetime of the encoded logical information. To carry out the numerical simulations for the non-Abelian 𝐷 4 case, we introduce a generalized stabilizer tableau formalism that permits efficient simulation of the non-Abelian Lindbladian dynamics.

Monte Carlo methods↗
DOE OSTI2021

Voltage Loss Comparison in CdSe/CdTe Solar Cells and Polycrystalline CdSeTe Heterostructures

Cd(Se)Te solar cells have considerable headroom to increase voltage. Voltage losses occur due to incomplete absorption above bandgap E_g and band tail absorption below E_g; such losses are quantified using radiative voltage. The largest voltage losses are attributed to nonradiative recombination, which is quantified via carrier lifetime and radiative efficiency. We compare radiative voltage, radiative efficiency, and carrier lifetime for Cu-doped CdSe/CdTe solar cells and for undoped polycrystalline CdSeTe heterostructures passivated with Al_2O_3. Using external quantum efficiency spectrum and a CdSeTe absorption spectrum obtained from absolute photoluminescence (PL), we show that the radiative voltage is greater than 1.1 V. Time-resolved PL experiments and modeling show that a major part of voltage losses can be attributed to recombination in the absorber bulk. The front interface recombination makes a larger impact within the first few nanoseconds after pulsed excitation, and the comparison of time-gated and time-integrated PL can be used to assess relative contributions of front interface and bulk recombination rates.

14 SOLAR ENERGY↗
DOE OSTI2023

Simplifying the Advanced Test Reactor LOWE Element Test Series

The Advanced Test Reactor (ATR) is one of six remaining high performance research reactors in the United States scheduled to be converted from 93% high-enriched uranium (HEU) fuel to 19.75% low-enriched uranium (LEU) fuel as part of the Department of Energy (DOE), National Nuclear Security Administration (NNSA), Office of Material Management and Minimization (MMM) reactor conversion efforts(1). The specific LEU fuel element design for the ATR is called the Low Enriched (LOWE) element. A series of fuel qualification tests are scheduled to occur over the next decade before the ATR is fully converted. In addition to several experiments of demonstration plates, a series of Element Tests (ETs) are planned for conversion, in which full sized LOWE elements are placed in ATR driver positions. The purpose of these ETs was generally to sequentially increase the amount of LEU and core power to full power, therefore creating a representative safety profile in which LEU could operate for the duration of the ATR lifetime. The planned element tests were (2): ET-1: one LOWE element at low power for once cycle ET-2: ~8 LOWE elements at low/medium power for multiple cycles, and ET-3: >8 LOWE elements for a full lobe of elements at high power for multiple cycles. Given recent improvements in modeling fidelity, scheduling considerations, and an opportunity to combine later ETs, the LEU conversion program successfully defined the operational requirements for the “ET-ATR” test, which combines the needed information collected from ET-2 and ET-3 into a single test.

42 ENGINEERING↗
DOE OSTI2023

Comprehensive Battery Safety Risk Evaluation: Aged Cells versus Fresh Cells Upon Mechanical Abusive Loadings

Abstract Despite their wide applications, lithium‐ion batteries (LIBs) have been struggling with their safety risks arising from different lifetime stages. Here, the NCMA pouch cell is taken as an example, and the safety of both fresh and aged cells from three milestone stages, that is, internal short circuit (ISC) triggering risk, ISC mode, and the subsequent thermal runaway (TR) consequence is investigated. By combining mechanical abusive testing and physics‐based models on commercialized cells with various states‐of‐health (SOH) and states‐of‐charge, it is discovered that the ISC triggering delays with the decay of SOH and soft ISC mode will be triggered more frequently, which is mainly due to the mechanical behaviors of the current collectors. The temperature rises and peak temperature during the subsequent TR also become milder for aged cells due to the reduced capacity and deterministic soft ISC process. Results here provide a mechanistic explanation of the safety risk comparison between the fresh and aged cells, offering cornerstone guidance to the evaluation and design of next‐generation safer LIBs.

25 ENERGY STORAGE↗
DOE OSTI2021

Low-temperature T -linear resistivity due to umklapp scattering from a critical mode

In this study, we consider the transport properties of a model of fermions scattered by a critical bosonic mode. The mode is overdamped and scattering is mainly in the forward direction. Such a mode appears at the quantum critical point for an electronic nematic phase transition and in gauge theories for a U(1) spin liquid. It leads to a short fermion lifetime, violating Landau's criterion for a Fermi liquid. In spite of this, transport can be described by a Boltzmann equation. We include momentum relaxation by umklapp scattering, supplemented by weak impurity scattering. We find that above a very low temperature which scales with Δ q 3 , where Δ q is the minimum umklapp scattering vector, the resistivity is linear in T with a coefficient which is independent of the amount of disorder. This picture holds until the temperature dependent part of the resistivity exceeds that due to impurity scattering. We compare the relaxation time approximation with an exact numerical solution of the Boltzmann equation. Surprisingly we find that, unlike the resistivity, the Hall coefficient strongly deviates from the relaxation time approximation and shows a strong reduction with increasing temperature. We comment on possible comparisons with experiments on high T c cuprates.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High-Accuracy Simulations to Model Pyrometallurgical Processes in a Secondary Lead Reverberatory Furnace

The US manufacturing industry produces about 1.3 million tons of refined lead each year using secondary sources consisting mainly of lead batteries. ORNL is partnering with Gopher resource, the second largest lead recycling company in the United States, and GTI, to develop a high-fidelity CFD model of a directly fired, reverberatory-style, secondary lead furnace. These High Performance Computing (HPC) simulations are aimed to use first principles modeling for combustion and melting processes of the secondary lead feed while accounting for complex interphase interactions between the gas, solid charge (lead) material, slag, and metal phases. Through validation against operating plant data, this effort will enable significant improvements in design, operational parameters, and energy efficiency, thus improving productivity and refractory lifetime of secondary lead melting furnaces. Estimated savings/reduction of, at least, 1 trillion BTU, 1 million ton/year of greenhouse gas emissions, and $\$50$ million/year to the US lead industry can be expected. ORNL resources and expertise in high-performance computing and multicomponent, multiphase flows were utilized to realize this goal while advancing the understanding of the smelting and melting processes occurring within the furnace.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Build-To-Replace Strategy to Reduce O&M Costs of Advanced Reactors

This paper targets the goal of reducing fixed operations and maintenance (O&M) costs to $2/MWh for advanced reactor (AR) designs, an order of magnitude reduction from current nuclear fleets. Such goal will be severely constrained if the underlying assumptions of O&M approaches and practices are not questioned and reexamined, especially today when changes can be implemented effectively and efficiently. Achieving a 90% reduction in AR O&M costs requires a completely new way of thinking – a paradigm shift – not through incremental, technology-focused approaches alone. Here, we address this challenge by evaluating the impact of moving to shorter design life for major structures, systems and components (SSCs) and shorter, more predictable refurbishment cycles as modeled by the commercial airline industry. This paper provides a brief overview of this different mindset to O&M applied to ARs: the build-to-replace approach. We provide a direct example of analysis of a build-to-replace scenario by identifying and evaluating scenarios for reduced system and component lifetimes and associated replacement and refurbishment schedules to evaluate impacts on O&M costs and other lifecycle elements such as SSC reliability.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Simultaneous optimization of simulated moving bed adsorption and distillation for 2,3‐butanediol recovery

Abstract A combined simulated moving bed (SMB) and distillation separation scheme is developed to recover 2,3‐butanediol (BDO) from a dilute fermentation broth. The scheme was integrated into a lignocellulosic biorefinery that produces hydrocarbon fuels from corn stover with BDO as an intermediate. BDO recovery is one of the most challenging processes in this biorefinery; and given the high associated energy duties, direct distillation is considered cost‐prohibitive. An alternative separation is SMB adsorption in nanoporous materials, which can reject 90% of the water and reduce subsequent distillation costs. Rigorous models were used to optimize the SMB and distillation simultaneously. The separation can be added to the biorefinery while keeping the projected minimum fuel selling price (MFSP) below $0.66 USD (US dollars) per liter gasoline‐equivalent ($2.50/GGE, gallon gasoline equivalent). Finally, sensitivity analyses were conducted to assess the effects of cost and lifetime of the adsorbent, titer concentration, and BDO purity.

09 BIOMASS FUELS↗
DOE OSTI2022

Thermal Energy Grid Storage (TEGS) Using Multi-Junction Photovoltaics (MPV) (Final Technical Report)

The project aimed to develop a thermal energy storage battery that converts electricity to heat and stores heat at ultra-high temperatures (>2000°C) in graphite blocks. The thermal battery discharge uses TPV cells that directly convert thermal energy to electrical energy without any moving parts. All components of this technology were successfully demonstrated at the laboratory scale in this project. Development of extremely low cost (< $20/kWh) grid level energy storage is a crucial necessity to reach high penetrations of renewables. The thermal battery technology developed in this project is expected to meet the cost targets that would enable full renewable penetration. The project focused on four key aspects of this technology: Converting electricity to ultra-high temperature heat: This was done through development of graphite Joule heaters. Major issues related to arcing, heater evaporation and deterioration due to long term oxidation were addressed to ensure lifetime exceeding the service lifetime of the battery. Converting ultra-high temperature heat back to electricity: This was done through development of beyond state-of-the-art TPV cells. We demonstrated energy conversion efficiency of >40% that is a world record and exceeds the average energy conversion efficiency of turbines in the USA. The findings are peer-reviewed and published in Nature, and received a wide media attention globally. Protecting the TPV cells to ensure lifetime: Deposition of volatilized material, such as sublimated material or particles, on the TPV cell could greatly reduce the efficiency and lifetime of the TPV cells by blocking their view to the heat source and causing cell overheating. In this project we developed and demonstrated an approach that reduces the deposition rate, ensuring long > 30 year life. Technoeconomic feasibility and commercialization: In collaboration with the project’s technical advisory board, we developed a technoeconomic model. The model shows that, at large scales (> 1GWh) the thermal battery technology is projected to reach a cost of energy stored below $10/kWh-e, with a cost per unit power < $0.5/W-e and a roundtrip efficiency of 50%. These results, along with the technical achievements in the project led to the creation of a startup company (i.e., Fourth Power) that is pursuing commercialization of the technology.

25 ENERGY STORAGE↗
DOE OSTI2022

WBS 1.2.3.405 - Life Cycle Assessment of Storage Technologies

Recent commitments by the Biden administration have established targets to achieve a net-zero energy system by 2050. Meeting these targets will spur a rapid transition to clean energy technologies and a commensurate need to develop and deploy energy storage technologies at scale. Pumped Storage Hydro (PSH) is expected to be part of this solution because its ability to provide grid flexibility and stability and enable the dispatching of disparate variable renewable energy technologies. Despite PSH being a mature technology with a history of deployment dating back several decades, there is very little information on the greenhouse gas (GHG) implications of PSH as compared to other storage technologies. The objective of this project is to perform a full lifecycle assessment (LCA) of new PSH projects in the U.S. This LCA includes all project phases (resource extraction, construction, operation, maintenance, end-of-life). The functional unit for this study is 1 kWh electricity delivered by system to grid substation connection point and the estimated lifetime for our base case is 80 years. Data used in this study are based on over 30 potential PSH projects that are in preliminary planning phases and are represent a wide range of potential closed-loop PSH systems in terms of location, technology, and capacity. The project approach, data sources, and modeling assumptions have been informed by a technical review committee of stakeholders that include experts from academia, national and international government, industry, and utilities. The GHGs and energy return on investment (EROI) from PSH will be compared to other storage technologies (e.g., stationary battery storage). Results from this project will improve the PSH community's understanding of the environmental impacts and sustainability of new PSH projects and how PSH compares to other storage technologies. The approach used in this project relies on open-source programming. The analysis framework (source code and data) and will be made publicly available at the end of the project. In addition to reporting results for the base case, we will perform rigorous sensitivity analysis to identify the major drivers, understand impacts of different configurations, and future energy markets. Results from this project will be published in a suitable journal.

ENERGY PLANNING, POLICY, AND ECONOMY,HYDRO ENERGY↗
DOE OSTI2023

Evaluation of adsorption and mechanical strength of 13X zeolite mixtures with phyllosilicate binders using molecular dynamics simulation and positron annihilation spectroscopy

There is growing interest in developing zeolites with novel internal structures that have optimal adsorptive capacity and high mechanical strength, while offering advantages, such as being light weight. We integrate computational and experimental methods to explore the effect of binder/zeolite types, and weight percentages on the mechanical strength of 13X zeolite and adsorption capacities of N 2 , H 2 O, and CO 2 for additive manufacturing (AM) applications with the goal of maximizing both adsorption and strength. Zeolite 13X mixtures and phyllosilicate binders (either bentonite or kaolin) are combined using molecular dynamics (MD) simulations to create structures with various binder/zeolite weight percentages. Further, adsorption capabilities and mechanical strength are assessed using the grand canonical Monte Carlo (GCMC) and ReaxFF modules, respectively. Our modeling shows that an optimized zeolite/binder ratio for N 2 adsorption is around 15 wt% for kaolin and roughly 10 wt% for bentonite. The resulting parameters can be applied to facilitate macro-scale computational fluid dynamics (CFD) and finite element method (FEM) simulations of an AM zeolite structure. We also performed Positron Annihilation Lifetime Spectroscopy (PALS) measurements on zeolite samples to explore the effect of changes in the internal volume. The results show an inverse relationship between the free volume and the solid loading and adding a binder changes the morphology of the zeolite-binder compound and decreases open-volume area significantly.

36 MATERIALS SCIENCE↗