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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Inducible flippase-mediated metabolic engineering of Rhodosporidium toruloides for enhanced 3-hydroxypropionic acid production from corn stover hydrolysate

Rhodosporidium toruloides has gained increasing interests as a promising non-model host organism to produce a wide range of bioproducts from lignocellulosic biomass. Increasing the bioproduct titers, rates, and yields remains a challenge, largely due to a lack of robust and well-characterized genetic tools in this host. Here we developed an inducible flippase (FLP) and flippase recognition target (FRT) system that enables genetic manipulations without the need for additional selection markers. Synthetic inducible promoters were established, enabling regulation of FLP expression and efficient antibiotic marker removal. Leveraging this system, we engineered a strain to optimize 3-hydroxypropionic acid (3HP) production. Over four rounds of iterative genomic editing to resolve pathway bottlenecks, we achieved a 3HP titer of 69.4 g/L in fed-batch fermentation - the highest level reported in yeast from lignocellulosic hydrolysates. The engineered high 3HP producing strain offers a robust platform for sustainable bio-based chemical production from lignocellulosic feedstocks.

3-hydroxypropionic acid↗
DOE OSTI2021

Carbon aerogels with integrated engineered macroporous architectures for improved mass transport

Carbon aerogels (CAs) combine unique properties including ultra-high surface area, high electrical conductivity, corrosion resistance, and robust mechanical properties making them ideal materials for electrochemical applications. Traditional CA synthesis results in isotropic, random nanoporous networks that work well for applications relying on diffusional mass transport. However, many applications would benefit from integration of engineered macroporous network structures that enable directed pressure-gradient-driven mass transport. In this study, we report on using 3D-printed sacrificial polymeric templates to generate templated CAs (t-CAs) with integrated engineered nonrandom macroporous network structures. Specifically, we used projection micro-stereo-lithography (PμSL) and two-photon polymerization direct laser writing (2PP-DLW) to fabricate millimeter-to-centimeter-sized 3D sacrificial polymeric templates with features ranging from tens of microns (PμSL) to 100s of nanometers (2PP-DLW). T-CAs were fabricated by infiltrating the templates with resorcinol-formaldehyde (RF) precursor solution, followed by carbonization at 1050 °C to simultaneously convert the RF gel to a CA and decompose the 3D-printed template, leaving an embedded templated macroporous network structure behind. X-ray computer tomography confirms integration of the macroporous architecture defined by the template. The templated macroporous architecture improves mass transport in t-CAs compared to traditional bulk CA as demonstrated by more uniform activation and their response in electrochemical cyclic voltammetry and galvanostatic charge-discharge tests.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Constructing uniform oxygen defect engineering on primary particle level for high-stability lithium-rich cathode materials

Lithium-rich layered cathode materials are considered to be research focus of cathode candidates for next generation lithium-ion batteries due to their high specific capacity and low cost. However, lattice deoxidation associated with elemental migration and internal local shrinkage usually results in deteriorated cyclic performance and notorious voltage attenuation, severely limiting its application. In this paper, we have successfully injected uniform oxygen defects into surface region of Li 1.2 Ni 0.13 Co 0.13 Mn 0.54 O 2 primary particles under the high-pressure and weak carbonate environment. Various experimental investigations indicate that the injected robust oxygen defects can not only mitigate detrimental interfacial reactions but also suppress unfavorable lattice variation and particle breakage. More importantly, theoretical calculations unravel the critical roles of oxygen defects in regulating energy band structure for strengthened anionic reversibility. Owing to stabilization effects of unique oxygen defect engineering, the modified Li 1.2 Ni 0.13 Co 0.13 Mn 0.54 O 2 cathode has harvested dramatically enhanced electrochemical performance including a high initial coulombic efficiency of 96.6%, an outstanding capacity retention of 91.96% (1C, 200 cycles) and suppressed voltage decay of only 1.62 mV per cycle. Therefore, this facile and effective defect engineering strategy could establish new guidance for promoting practical application of Li-rich Mn-based cathode material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

PERFORMANCE ANALYSIS OF AN ENGINEERING SCALE HYDROTHERMAL LIQUEFACTION SYSTEM

This work evaluates the Modular Hydrothermal Liquefaction System (MHTLS), an engineering-scale, integrated continuous HTL plant operated at the Pacific Northwest National Laboratory (PNNL), for converting realistic wet wastes into energy-dense biocrudes. The production campaigns discussed here processed algae, sewage sludges, lignocellulosic blends, Industrial food waste, and engineered food-waste slurries at 350?°C and around 200?bar, with nominal feed rates of ~12?L?h?¹. We report biocrude yields and composition, establish mass and elemental (C, N) balances, and quantify energy performance via heater duties, heat-exchanger behavior, and system-level efficiencies. Biocrudes contained 76–80?wt?% C (dry, ash-free) with HHVs of 38-41?MJ?kg?¹, substantially higher than feed materials HHVs of 16.6–26.1?MJ?kg?¹ and approaching petroleum fuels. Dry, ash-free biocrude yields of 32–53?wt?% corresponded to 43–71?wt?% carbon yields, with 18–40?wt?% of feed carbon routed to the aqueous phase. Thermal efficiencies were 50-65%, and total energy efficiencies, including reactor heat input, were 35-55%. A counter-current tube-in-tube heat exchanger delivered U values of 200–450?W?m?²?K?¹, with fouling-induced declines impacting heat recovery and heater duty. The analysis highlights three priorities for the process intensification of HTL: robust, fouling-resistant heat recovery, hydrodynamically suitable reactor and heat-exchanger designs, simplified and predictable solids management, and biocrude-water separation.

Biocrude production↗
DOE OSTI2023

Mitigation of chromosome loss in clinical CRISPR-Cas9-engineered T cells

CRISPR-Cas9 genome editing has enabled advanced T cell therapies, but occasional loss of the targeted chromosome remains a safety concern. To investigate whether Cas9-induced chromosome loss is a universal phenomenon and evaluate its clinical significance, we conducted a systematic analysis in primary human T cells. Arrayed and pooled CRISPR screens revealed that chromosome loss was generalizable across the genome and resulted in partial and entire loss of the targeted chromosome, including in preclinical chimeric antigen receptor T cells. T cells with chromosome loss persisted for weeks in culture, implying the potential to interfere with clinical use. A modified cell manufacturing process, employed in our first-in-human clinical trial of Cas9-engineered T cells (NCT03399448), reduced chromosome loss while largely preserving genome editing efficacy. Expression of p53 correlated with protection from chromosome loss observed in this protocol, suggesting both a mechanism and strategy for T cell engineering that mitigates this genotoxicity in the clinic.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Hierarchical Defect Engineering for LiCoO 2 through Low-Solubility Trace Element Doping

Real-world industry-relevant battery composite electrodes are hierarchically structured. Their structural and chemical complexity is featured by ubiquitous multi-scale porosity and cracks, solid-solid and solid-liquid interfaces, compositional and redox heterogeneity, as well as lattice disordering and deformation. In particular for the active cathode particles, which are the fundamental building blocks for the energy reservoir, it is a consensus that these structural and chemical defects could have a profound impact on the battery performance. An in-depth understanding of the underlying mechanisms could critically inform the cathode material engineering, which would have a tremendous potential but remains a daunting challenge at present. In this work, we tackle this question by studying LiCoO 2 (LCO) with trace doping of Ti, which exhibits a low solubility in the LCO layered lattice. Additionally, we observed the spontaneous and heterogeneous segregation of the dopant (Ti) across a wide range of length scales. In addition to the modification of the particle surface and the buried grain boundaries within the particle, we reveal that the Ti doping has induced a significant amount of lattice distortions, which, in turn, promotes the robustness of the LCO lattice at high state of charge (above 4.5V). Our result formulates a multi-scale defect engineering strategy that could be applicable to the synthesis of a broad range of energy materials for applications in batteries and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Flame kinetics at scramjet-engine-relevant conditions: Role of prompt dissociation of weakly-bound radicals

Combustion in high-speed ram-based propulsion engines occurs under distinct thermodynamic conditions of high reactant temperatures (greater than 1000 K) and relatively low pressures (<5 atm). There is a lack of fundamental flame measurements at such conditions that result in adiabatic flame temperatures (T ad ) exceeding 2500 K. In this work, we have measured laminar flame speeds of oxygen-enriched CH 4 /oxidizer mixtures at sub-atmospheric conditions to probe kinetics at high T ad using the isobaric spherically expanding flame approach. Simulations with recent kinetic models revealed increasing differences between data and model predictions with increasing T ad , reaching up to 25 %. Kinetic analyses reveal that at the thermodynamic conditions in these O 2 -enriched flames, i.e., lower pressures and higher T ad , the effects of HCO prompt dissociation are accentuated. In addition to HCO, the prompt dissociations of CH 2 OH and C 2 H 5 are also considered. Here, the prompt dissociations of all three radicals were evaluated and their effects considered in flame speed simulations. Reaction path analysis for the present flames revealed that approximately half of the reaction flux for HCO formation undergoes prompt dissociation to H + CO. Furthermore, these analyses also revealed that the pathways and sensitive reactions are similar between oxygen-enriched fuel/oxidizer mixtures and preheated fuel/air mixtures, if both have similar T ad . Thus, flames of oxygen-enriched mixtures could be a surrogate to probe the flame chemistry of highly preheated mixtures at relatively low pressures that are often encountered in ram-based propulsion engine combustors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Impact of gasoline composition on the effects of nitric oxide on autoignition and knock in a DISI engine

Modern spark-ignition engines use exhaust gas recirculation (EGR) to dilute the charge and suppress knock, enabling the use of higher compression ratios and/or more optimum combustion phasing for higher efficiency. The effectiveness of EGR is affected by the composition of the fuel and its chemical-kinetic interactions with combustion products. Among those, nitric oxide (NO) has been shown to strongly affect autoignition reactivity. However, the impact of fuel composition of the effect of NO on reactivity is not well-understood. Here, in this study, engine experiments were conducted to assess the impact of NO seeded to the intake on knock-limited operation of two gasoline fuels (high cycloalkane content, or HCA, and high olefin content, or HO). Results showed that compositionally-different fuels responded differently to NO. HCA, which was less knock-limited than HO for NO < 200 ppm, became more knock-limited for NO > 200 ppm. Moreover, it was found that differences in knock between fuels were caused by differences in autoignition chemistry and not in the sequential autoignition process of the end gas that occurs due to thermal stratification. Chemical kinetic simulations were performed to better understand the experimental results. For HCA, intermediate-temperature heat release had a greater impact on autoignition reactivity than low-temperature heat release, while the opposite was observed for HO. For both fuels, NO enhances the magnitude of low-temperature heat release via NO + HO 2 → NO 2 + OH. The effect of NO on reactivity was stronger for HCA because OH produced from NO helped to overcome the OH quenching effect of cyclopentane, a main species in HCA. In contrast, HO had relatively strong inherent low-temperature chemistry arising from iso-octane, which reduced the impact of NO on reactivity. For the range of NO mole fractions tested in this study, in-cylinder NO increased fuel’s knock propensity, especially for fuels with mild low-temperature chemistry.

Autoignition↗
DOE OSTI2021

Effect of heterostructure engineering on electronic structure and transport properties of two-dimensional halide perovskites

Organic-inorganic halide perovskite solar cells have attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. More recent efforts show that the reduction from three- to two-dimensions (2D) of organic–inorganic halide perovskites promises an exciting opportunity to tune their electronic properties. Here, we explore the effect of reduced dimensionality and heterostructure engineering on the intrinsic material properties, such as energy stability, bandgap and transport properties of 2D hybrid organic–inorganic halide perovskites using first-principles density functional theory. We show that the energy stability of engineered perovskite heterostructures is significantly enhanced. The heterostructures with improved stability also show excellent transport properties similar to their bulk counterparts. Furthermore, these layered chemistries demonstrate the advantage of a broad range of tunable bandgaps and high-absorption coefficient in the visible spectrum. The proposed 2D heterostructured material holds potential for nano-optoelectronic devices as well as for effective photovoltaics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Engineered bacterial microcompartments: apps for programming metabolism

Bacterial Microcompartments (BMCs) are used by diverse bacteria to compartmentalize enzymatic reactions, functioning analogously to the organelles of eukaryotes. The bounding membrane and encapsulated components are composed entirely of protein, which makes them ideal targets for modification by genetic engineering. In contrast to viruses, in which generally only one protein forms the capsid, the shells of BMCs consist of a variety of shell proteins, each a potential unit of selection. Despite their differences in permeability, the shell proteins are surprisingly interchangeable. Recent developments have shown that they are also highly amenable to engineered modifications which poise them for a variety of biotechnological applications. Additionally, given their modular structure, with a module defined as a semi-autonomous functional unit, BMCs can be considered apps for programming metabolism that can be de-bugged by adaptive evolution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Building kinetic models for metabolic engineering

Kinetic formalisms of metabolism link metabolic fluxes to enzyme levels, metabolite concentrations and their allosteric regulatory interactions. Though they require the identification of physiologically relevant values for numerous parameters, kinetic formalisms uniquely establish a mechanistic link across heterogeneous omics datasets and provide an overarching vantage point to effectively inform metabolic engineering strategies. Advances in computational power, gene annotation coverage, and formalism standardization have led to significant progress over the past few years. However, careful interpretation of model predictions, limited metabolic flux datasets, and assessment of parameter sensitivity remain as challenges. In this study we highlight fundamental considerations which influence model quality and prediction, advances in methodologies, and success stories of deploying kinetic models to guide metabolic engineering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Engineering of non-model eukaryotes for bioenergy and biochemical production

The prospect of leveraging naturally occurring phenotypes to overcome bottlenecks constraining the bioeconomy has marshalled increased exploration of nonconventional organisms. This review discusses the status of non-model eukaryotic species in bioproduction, the evaluation criteria for effectively matching a candidate host to a biosynthetic process, and the genetic engineering tools needed for host domestication. Here, we present breakthroughs in genome editing and heterologous pathway design, delving into innovative spatiotemporal modulation strategies that potentiate more refined engineering capabilities. We cover current understanding of genetic instability and its ramifications for industrial scale-up, highlighting key factors and possible remedies. Finally, we propose future opportunities to expand the current collection of available hosts and provide guidance to benefit the broader bioeconomy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Comparing total cost of ownership of battery electric vehicles and internal combustion engine vehicles

The technological advance of electrochemical energy storage and the electric powertrain has led to rapid growth in the deployment of electric vehicles. The high cost and the added weight of the batteries have limited the size (energy storage capacity) and, therefore, the driving range of these vehicles. However, consumers are steadily purchasing these vehicles because of the fast acceleration, quiet ride, and high energy efficiency. The higher pack-to-wheel efficiency and the lower energy cost per mile, as well as the lower expense for maintenance and repair, translate to operating savings over conventional vehicles. Here we compare battery electric vehicles with internal combustion engine vehicles based on the total cost of ownership. It is seen that the higher initial cost of electric vehicles can be recovered in as little as 5 years. This is especially true for electric vehicles with shorter driving ranges. Specifically, a vehicle with an electric driving range under 200 miles may achieve cost parity with an equivalent internal combustion engine vehicle in 8 years or less.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Surface Engineering Strategy to Synthesize Bicomponent Carbons for Rechargeable Zinc-Air Batteries

Atomic Fe-N x moieties and nanosized FeCo species anchored on carbons have each been demonstrated to be among the most effective active components for oxygen reduction and evolution reactions (ORR/OER), respectively in rechargeable zinc -air batteries (ZABs). However, incorporating both of these components in a single catalyst presents a great challenge due to the trade-off in formation between them during hightemperature preparation. Herein, we integrate them into a bicomponent carbon through a surface engineering strategy. In this process, K 3 [Fe(CN) 6 ] is engineered on the surface of a precursor mixture consisting of polyaniline-coated graphene oxide and ZIF-67. This is followed by pyrolysis to produce the bicomponent carbon catalyst of FeCo nanoparticles modified carbon polyhedron (for accelerating the OER), supported on atomically dispersed Fe -N -doped carbon nanosheet (for boosting the ORR). The catalyst exhibits a small potential gap of 0.69 V for OER/ORR. In situ Raman spectroscopy demonstrates that spinel FeCo oxides may be responsible for OER. The use of this catalyst in ZABs achieves high power densities of 225 mW cm -2 in aqueous electrolyte and 164 mW cm -2 in solid-state electrolyte. Additionally, a small and stable voltage gap of 0.712 V at 10 mA cm -2 is maintained after 1035 discharge -charge cycles demonstrating the great application potential in energy devices.

An, Jia-Xing↗
DOE OSTI2020

Combustion, criteria pollutant and soot property assessment of mixing-controlled high-load engine operation with gasoline and diesel

Gasoline compression ignition (GCI) is an emerging technology that can achieve high fuel efficiency and low criteria emissions in diesel engine platforms using gasoline and gasoline-like fuels. While low- and mid-range loads are enabled with low temperature combustion (LTC) approaches, high-loads are more efficient with high temperature combustion (HTC) requiring mixing-controlled combustion (MCC). Lower soot emissions are achieved with gasoline even in high-load MCC than with diesel, but detailed soot properties from gasoline and diesel have been rarely discussed. In order to better understand how high-load operations affect soot properties, in this study gasoline and diesel were tested in a six-cylinder heavy duty engine at 14 bar brake mean effective pressure (BMEP) at similar combustion phasing. Effects of pilot mass ratio and EGR on heat release rates, cylinder temperatures, ignition delay (ID) and combustion duration (CD) were examined, relating with emissions variations with applications of the two fuels. Soot mass and particle number emissions were slightly lower with gasoline than with diesel, resulting in a more favorable NOx-soot trade-off with gasoline like other reports. Contrary to other findings in the literature, gasoline and diesel soot samples presented similar particle distribution shapes, carbon crystalline structures and primary particle sizes, regardless of fuel type and EGR rate. Consequently, the current result proposes that soot particles have undergone similar soot formation and oxidation processes despite reactivity difference and oxygen availability under the examined high-load MCC with similar combustion phases.

02 PETROLEUM↗
DOE OSTI2026

Disruption modelling for engineering and physics design of ST-E1 fusion power plant

Plasma disruptions represent a critical challenge for high-performance tokamak operations, as they can compromise machine integrity and reduce operational availability. Although future fusion devices essentially need to incorporate strategies to minimise disruption occurrence, complete avoidance remains unattainable. Consequently, assessing and characterising unmitigated disruption consequences is fundamental for the design and qualification of next-generation fusion power plants. This work supports the pre-conceptual design of ST-E1, a low aspect-ratio Tokamak Fusion Power Plant developed by Tokamak Energy Ltd., by presenting a comprehensive disruption modelling approach applied across different design stages. The methodology integrates both physics and engineering considerations to evaluate the impact of disruptions on machine performance and structural integrity. From an engineering perspective, several ST-E1 layout options were analysed to investigate the electromagnetic response of key components under disruption-induced loads, enabling comparison between alternative design solutions. On the physics side, a broad set of disruption scenarios was explored, scanning operational space parameters, plasma-material interactions, and associated thermal loads. Furthermore, the study examined variations in disruption behaviour arising from different reference equilibria, focusing on a range starting from Double Null to Single Null configurations, reflecting the increasing up-down asymmetry consequences. The results reveal significant contrasts in plasma dynamics and structures electromagnetic behaviour between configurations, highlighting the importance of disruption modelling in guiding design choices. These analyses have proven instrumental in shaping ST-E1 development, offering critical insights for mitigating risks and optimising future fusion power plant designs.

Borowiec, Katarzyna [ORNL] (ORCID:0000000335911739↗
DOE OSTI2021

Void swelling of conventional and composition engineered HT9 alloys after high-dose self-ion irradiation

Ferritic/martensitic (F/M) steels are being considered as potential structural materials for next generation nuclear reactors, and variants of the alloy HT9 are some of the most promising candidates. In this study, two conventional and two composition engineered HT9 alloys were irradiated using 3.5 MeV Fe 2+ up to 600 peak displacement-per-atom (dpa) at 450 °C. Void swelling and microstructure evolution were characterized for each alloy and compared. The two conventional HT9 alloys (INL and ACO3) showed similar void swelling behavior due to their similar elemental composition and processing conditions. The INL HT9 exhibited a maximum of 2.4% swelling and the ACO3 HT9 showed a maximum of 2.8% swelling at 342 and 393 average local dpa, respectively. On the other hand, the two-composition engineered HT9 alloys with varying N contents (10 ppm for low N and 440 ppm for high N) showed disparate swelling behavior. The low N HT9 exhibited a maximum of 4.6% swelling, while the high N HT9 showed a maximum of 0.7% swelling at 342 average local dpa. Changes in the N content also affected Ni/Si rich G-phase formation. The low N HT9 showed a larger size and lower density of G-phase precipitates compared with the high N HT9 after 600 peak dpa irradiation. This study compares the void swelling behavior of the ion irradiated four current HT9 alloys to extremely high doses, with the void swelling data from neutron irradiated HT9 alloys. Furthermore, the comparison lends critical insights into how well these current alloys can withstand high neutron fluxes in future reactors, especially since the low N and high N HT9 alloys have never been exposed to such high doses before.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Observation of large Rashba spin–orbit coupling at room temperature in compositionally engineered perovskite single crystals and application in high performance photodetectors

Indirect absorption extended below the direct transition edge and increase in carrier lifetime derived from Rashba spin–orbit coupling may advance the optoelectronic applications of metal halide perovskites. Spin-orbit coupling in halide perovskites is due to the presence of heavy elements in their structure. However, when these materials lack an inversion symmetry, for example by the application of strain, spin–orbit coupling becomes odd in the electron’s momentum giving rise to a splitting in the electronic energy bands. Here we report on the observation of a large Rashba splitting of 117 meV at room temperature, as predicted by relativistic first-principles calculations, in halide perovskite single crystals through a facile compositional engineering approach. Partial substitution of organic cations by rubidium in single crystals induces significant indirect absorption and dual peak photoluminescence as a result of a large Rashba splitting. We measured circularly polarized photoluminescence and magneto-photoluminescence in perovskite films printed by single crystals as well as magneto-electroluminescence and magneto-photocurrent in spin-LEDs based on perovskite single crystals. They indicated significant spin-momentum locking due to the large Rashba effect. A hybrid perovskite single crystal photodetector achieved record figures of merit, including detectivity of more than 1.3 × 10 18 Jones which represents a three orders of magnitude improvement compared to the to date record. Furthermore, these findings show that facile compositional engineering of perovskite single crystals holds great promise for further advancing the optoelectronic properties of existing materials.

36 MATERIALS SCIENCE↗