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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 OSTI2026

Robustness of inertial fusion energy relevant implosions to low-mode asymmetries

Inertial confinement fusion implosions for power production need to be robust. Degradation sources need to be understood and considered for an economic power plant. In this work, the impact of low-mode asymmetries on yield is studied using 2D radiation hydrodynamics simulations for inertial fusion energy relevant implosions. First, a high-gain indirectly driven capsule design is developed. This design is subsequently degraded with low-mode drive asymmetries. The results show that yield is constant with increasing amounts of asymmetry until a cliff is reached where the yield quickly drops below ignition. Robustness arises because the degraded hotspot still has enough time to get to ignition before capsule decompression. This robustness occurs even though the asymmetry couples less energy to the hotspot and causes decompression to occur sooner. The robustness is linked to the generalized Lawson parameter, χ⁠. The value of χ steadily decreases with increasing asymmetry. Once χ is close to one, the hotspot is no longer able to ignite before the capsule decompresses. A simple piston model is used to predict where the robustness cliff is for any design. The trade-off between yield and robustness is also demonstrated.

Physics - Plasma physics↗
DOE OSTI2026

Study of wrap mode impact on Pseudomonas aeruginosa motion in the chemotactic field of fungi

An agent-based discrete computational model biologically calibrated to Pseudomonas aeruginosa migration is used to explore the impacts of bacterial reversals and wrap mode on the efficiency of motion in different environments, both with and without chemotaxis. It is first shown that wrap mode increases the exploration of continuous multimodal chemotactic profiles such as those produced by biologically relevant fungal networks. For cells undergoing a run-reverse pattern, it is shown that the bacteria are likely to remain at the first local chemoattractant maximal production site on a hypha they find. However, with wrap mode, the bacteria can more easily escape these local sites to further explore their neighboring environment along the fungi, suggesting that wrap mode may be beneficial for migration along the fungi in liquid. In a different set of simulations of bacterial motion close to an isolated chemotactic source, wrap mode is shown to increase the ability of a bacterium to reorient toward the source while reducing the overall motion required for similar chemotactic efficiency as a run-reverse strategy, suggesting a potential metabolic benefit. In contrast, model simulations show that wrap mode can increase the rate of dispersal of P. aeruginosa in a nonchemotactic environment.

Hansen, Austin [University of California, Riversid↗
NASA NTRS2010

Ares I-X Ground Diagnostic Prototype

The automation of pre-launch diagnostics for launch vehicles offers three potential benefits: improving safety, reducing cost, and reducing launch delays. The Ares I-X Ground Diagnostic Prototype demonstrated anomaly detection, fault detection, fault isolation, and diagnostics for the Ares I-X first-stage Thrust Vector Control and for the associated ground hydraulics while the vehicle was in the Vehicle Assembly Building at Kennedy Space Center (KSC) and while it was on the launch pad. The prototype combines three existing tools. The first tool, TEAMS (Testability Engineering and Maintenance System), is a model-based tool from Qualtech Systems Inc. for fault isolation and diagnostics. The second tool, SHINE (Spacecraft Health Inference Engine), is a rule-based expert system that was developed at the NASA Jet Propulsion Laboratory. We developed SHINE rules for fault detection and mode identification, and used the outputs of SHINE as inputs to TEAMS. The third tool, IMS (Inductive Monitoring System), is an anomaly detection tool that was developed at NASA Ames Research Center. The three tools were integrated and deployed to KSC, where they were interfaced with live data. This paper describes how the prototype performed during the period of time before the launch, including accuracy and computer resource usage. The paper concludes with some of the lessons that we learned from the experience of developing and deploying the prototype.

Machine Learning↗
DOE OSTI2026

Expanding the horizon of bio-naphtha beyond gasoline blend: property characterization and conversion opportunity assessment through technoeconomic and life-cycle analyses

Bio-naphtha, a common by-product of biorefineries, is expected to experience substantial growth in supply due to increasing demands for renewable diesel and synthetic aviation fuel (SAF). However, demand for bio-naphtha itself as a gasoline blendstock is limited because of the electrification of light-duty vehicles. This work investigated valorization opportunities for bio-naphtha from catalytic fast pyrolysis, hydrothermal liquefaction, Fischer–Tropsch synthesis, and hydrotreated esters and fatty acids pathways. These opportunities include producing polymer-grade olefin via steam cracking, SAF via steam cracking followed by olefin oligomerization, and renewable aromatics benzene, toluene, and xylene (BTX) and hydrogen via catalytic reforming. Process models were developed in Aspen Plus V14 and Aspen HYSYS V14 to calculate the mass and energy balances for each conversion step. Technoeconomic assessment and life-cycle analysis were conducted to evaluate the minimum fuel/product selling price, conversion cost, and life-cycle CO2 equivalent (CO2e) emission reduction. Technoeconomic assessment results suggest a minimum fuel/product selling price as low as $1.9/kg of olefins, $6.30/gal of gasoline-equivalent SAF, and $1.2/kg of BTX without any incentives. For all pathways, these prices are dominated by bio-naphtha feedstock costs, which account for at least 76% of the total cost. Compared with petroleum baselines, bio-naphtha-derived SAF, olefins, and BTX can achieve significant CO2e emission reductions from the use of renewable carbon resources. The results of life-cycle analysis and subsequent technoeconomic assessment, incorporating carbon credits, indicate the economic viability of using bio-naphtha for polymer-grade olefin and BTX production, with product costs comparable to market prices.

Xu, Shuang↗
DOE OSTI2024

Computational modeling of coupled mechanical damage and electrochemistry in ternary oxide composite electrodes

Performance degradation of ternary layered oxide cathodes largely originates from their loss of structural integrity in cyclic usage. Mechanical damage, such as intergranular fracture of the active particles, is not only a mechanical cleavage process but also interferes with electrochemical kinetics such as infiltration of liquid electrolyte, surface corrosion of the constituent primary particles, and may eventually isolate the primary grains from the electron conducting network. Here, in this work, we develop a computational framework that integrates electrochemistry of a LiNi x Mn y Co 1−x−y O 2 (NMC) composite cathode with mechanical damage of the active particles. To fully examine the intricate chemomechanical behavior of the electrode, we evaluate the effects of the anisotropic material properties, the influence of mechanical potential on Li transport, and the concurrent intergranular fracture and electrolyte penetration along the grain boundaries upon multiple cycles. Electrolyte infiltration benefits capacity retention but aggravates further mechanical damage by corrosion. Structural failure mostly occurs in the first charging due to the anisotropic mechanical strain between the primary grains, while the resulting damage remains stable in the later few cycles. The results are consistent with experimental observations and the integration of electrochemistry and mechanical failure enables a step further understanding of the complex mechanism of battery degradation.

Battery degradation↗
DOE OSTI2025

Observation of Extraordinary Vibration Scatterings Induced by Strong Anharmonicity in Lead‐Free Halide Double Perovskites

Abstract Lead‐free halide double perovskites provide a promising solution for the long‐standing issues of lead‐containing halide perovskites, i.e., the toxicity of Pb and the low stability under ambient conditions and high‐intensity illumination. Their light‐to‐electricity or thermal‐to‐electricity conversion is strongly determined by the dynamics of the corresponding lattice vibrations. Here, the measurement of lattice dynamics is presented in a prototypical lead‐free halide double perovskite(Cs 2 NaInCl 6 ). The quantitative measurements and first‐principles calculations show that the scatterings among lattice vibrations at room temperature are at the timescale of ≈1 ps, which stems from the extraordinarily strong anharmonicity in Cs 2 NaInCl 6 . Further the degree of anharmonicity of each type of atom is quantitatively characterized in the Cs 2 NaInCl 6 single crystal, which stems from the interatomic forces, and demonstrate that this strong anharmonicity is synergistically contributed by the bond hierarchy, the tilting of the NaCl 6 and InCl 6 octahedral units, and the rattling of Cs + ions. Consequently, the crystalline Cs 2 NaInCl 6 possesses an ultralow thermal conductivity of ≈0.43 W mK −1 at room temperature, and a weak temperature dependence ofT −0.41 . These findings uncovered the underlying mechanisms behind the dynamics of lattice vibrations in double perovskites, which can largely benefit the design of optoelectronics and thermoelectrics based on halide double perovskites.

Chemistry↗
NASA NTRSDate not supplied

The NASA Turbulent Heat Flux (THX) Experiments: Summary and Lessons Learned

The Turbulent Heat Flux (THX) experiments were conducted at NASA Glenn Research Center (GRC) in order to collect measurements of velocities and temperatures for computational fluid dynamics (CFD) validation of heated flows, with a focus on propulsion system components. The experiments spanned 5 phases; four of which were conducted in the GRC AeroAcoustic Propulsion Laboratory (AAPL) using the Small Hot Jet Flow Rig (SHJAR). In addition to making velocity measurements with Particle Image Velocimetry (PIV), the THX experiments introduced a new Raman-scattering based capability to measure temperatures. Computational studies were also conducted for each of the experimental configurations, in order to provide a baseline of expected CFD results and conduct an assessment of the capability of various CFD approaches for calculating flows where the turbulent transport of heat was important. Two of the collected sets of data were used for American Institute of Aeronautics and Astronautics (AIAA) Propulsion Aerodynamic Workshops (PAWs). The data set from the 5th phase, collected for heated supersonic jets, was also used to construct new validation cases for the NASA Turbulence Model Resource (TMR). This paper provides an overview of the experiments and associated computations for each of the 5 test phases. Key experimental findings are presented. Lessons learned are provided concerning the effect of computational modeling choice on accuracy of predicting turbulent flows where thermal transport is important. Emphasis is placed on comparing Reynolds-averaged Navier-Stokes approaches with large-eddy simulation approaches. The benefits of utilizing a conjugate heat transfer method in conjunction with CFD solver for film cooling is demonstrated.

RANS↗
NASA NTRS2026

Influence of Processing Parameters on the Mechanical Properties of 3D Printed Borosilicate Particulate Reinforced Polymer Composites

Emerging composite materials are expanding the potential of additive manufacturing and enabling applications previously restricted by traditional manufacturing methods. The multi-phase nature of these composite materials combined with the complex in-ternal geometry of additively manufactured parts have enabled unique behavior, and potentially new applications. Additionally, these materials can be pyrolyzed to create dense metal, ceramic, and glass parts with geometries typically not achievable by tra-ditional processes. Additive manufacturing of borosilicate glass-based systems can open new applications in nuclear engineering, astronomy, and bone regrowth therapy. To elucidate the process-parameter relationship of borosilicate-polylactic acid (PLA) composites, mechanical testing was conducted and compared with a pure polylactic acid polymer baseline. Test specimens were fabricated by fused-filament fabrication with minimal post-processing. Yield strength, ultimate strength, and elastic modulus were calculated from stress-strain curves. Optical and scanning electron microscopy were conducted to observe the specimen microstructure before and after testing. The highest compressive yield strength for the composite was 28.22 MPa, and the highest compressive yield strength for PLA was 49.30 MPa. Print orientation was found to benefit the composite material but have a detrimental effect on the pure matrix material. An elastic modulus of 2.66 GPa was recorded for the borosilicate-PLA composite at 100% infill, 1 shell wall, and layer lines parallel to compression axis. Microscopy revealed that lower modulus composite specimens had the particulates re-distributed within the matrix. Tensile testing was done according to a polymer testing standard, which caused difficulties obtaining consistent fracture within the gauge length.

mechanical testing↗
NASA NTRSDate not supplied

The NASA Turbulent Heat Flux Experiments: Summary and Lessons Learned

The Turbulent Heat Flux (THX) experiments were conducted at NASA Glenn Research Center (GRC) in order to collect measurements of velocities and temperatures for computational fluid dynamics (CFD) validation of heated flows, with a focus on propulsion system components. The experiments spanned 5 phases; four of which were conducted in the GRC AeroAcoustic Propulsion Laboratory (AAPL) using the Small Hot Jet Flow Rig (SHJAR). In addition to making velocity measurements with Particle Image Velocimetry (PIV), the THX experiments introduced a new Raman-scattering based capability to measure temperatures. Computational studies were also conducted for each of the experimental configurations, in order to provide a baseline of expected CFD results and conduct an assessment of the capability of various CFD approaches for calculating flows where the turbulent transport of heat was important. Two of the collected sets of data were used for American Institute of Aeronautics and Astronautics (AIAA) Propulsion Aerodynamic Workshops (PAWs). The data set from the 5th phase, collected for heated supersonic jets, was also used to construct new validation cases for the NASA Turbulence Model Resource (TMR). This paper provides an overview of the experiments and associated computations for each of the 5 test phases. Key experimental findings are presented. Lessons learned are provided concerning the effect of computational modeling choice on accuracy of predicting turbulent flows where thermal transport is important. Emphasis is placed on comparing Reynolds- averaged Navier-Stokes approaches with large-eddy simulation approaches. The benefits of utilizing a conjugate heat transfer method in conjunction with CFD solver for film cooling is demonstrated.

RANS↗
NASA NTRSDate not supplied

Mass Economy Evaluation for Integrated ECLSS and Propulsion Architecture

As missions in Low Earth Orbit (LEO) lengthen and extend to deep space, minimizing resupply needs becomes vital for sustaining crewed operations. Traditional life support systems depend on consumables resupplied from Earth, a method that is increasingly impractical for missions beyond LEO, such as lunar outposts or Mars transit. Long-duration missions require more efficient, autonomous systems that can recycle essential resources, particularly water and oxygen, to minimize the frequency and mass of resupply missions. The Environmental Control and Life Support System (ECLSS) is essential to such missions, with the International Space Station (ISS) serving as a testbed for advanced water recovery and partial oxygen recycling via physico-chemical methods. Yet, ECLSS and propulsion subsystems generally operate independently, despite overlapping requirements and potential areas for synergy. For instance, ECLSS byproducts, water, CO₂, and hydrogen, could be repurposed for propulsion, potentially reducing dedicated propellant mass and increasing overall system efficiency. One promising approach is to develop shared-resource architectures that integrate ECLSS with propulsion systems. This study examines the potential of such integration through the Sabatier CO₂ reduction process, focusing on water management as a key factor in system mass trade-offs. The Sabatier reaction produces water and methane from metabolic CO₂ and electrolytic hydrogen, partially closing the life support loop and providing methane, which could serve as a propellant. This integration could minimize waste, reduce resupply requirements, and enhance mission mass efficiency. A dynamic modeling framework will be used to simulate resource flows over long missions, capturing interactions between life support and propulsion. By comparing integrated versus separate system configurations, the study aims to quantify mass benefits and penalties, informing future habitat designs and trade studies for missions prioritizing autonomy and mass efficiency.

ECLSS↗
NASA NTRS2026

Micromechanical Design of Carbon Nanotube Ribbon Reinforced Polymer Composite Materials

Lightweight materials are an important component of the design of aerospace structures. Carbon nanotube materials have been considered for this purpose due to the strength and stiffness of individual nanotubes, and the commercial availability of bulk formats such as fibers. These fibers can have a ribbon cross section which results in a different design space for their composites relative to traditional reinforcements which have a round cross section. This work applies brick-and-mortar micromechanical models and classical lamination theory with an inverse approach to investigate the design space of these composites. Using this approach, the influences of fiber geometry and axial and transverse mechanical properties are mapped. Finally, a sensitivity study is performed and the relative impacts of ±10% variations in the constituent material and geometric properties are ranked. Lamina axial moduli were found to range from a maximum of 3x to 1x minimum relative to a target quasi-isotropic laminate modulus depending on the anisotropy and shear modulus of the lamina. The fiber targets depended strongly on the fiber volume fraction in the lamina and the fiber axial modulus target was found to range from 4.8x to 3.2x the quasi-isotropic laminate target. The sensitivity analysis found that the largest driver of performance was the volume fraction, followed by the fiber axial modulus. While bio-based brick-and-mortar composites, such as nacre, can benefit from reinforcement aspect ratios above 10, for carbon nanotube ribbon (or carbon fiber)/polymer composites the sensitivity study indicated that the optimal cross-sectional aspect ratio was relatively smaller, potentially less than three.

Micromechanics↗
NASA NTRS2026

Mass Economy Evaluation for Integrated ECLSS and Propulsion Architecture

As missions in low Earth orbit (LEO) lengthen and extend to deep space, minimizing resupply needs becomes vital for sustaining crewed operations. Traditional life support systems depend on consumables resupplied from Earth, a method that is increasingly impractical for missions beyond LEO, such as lunar outposts or Mars transit. Long-duration missions require more efficient, autonomous systems that can recycle essential resources, particularly water and oxygen, to minimize the frequency and mass of resupply missions. The Environmental Control and Life Support System (ECLSS) is essential to such missions, with the International Space Station (ISS) serving as a testbed for advanced water recovery and partial oxygen recycling via physico-chemical methods. Yet, ECLSS and propulsion subsystems generally operate independently, despite overlapping requirements and potential areas for synergy. For instance, ECLSS byproducts, water, CO 2 , and hydrogen, could be repurposed for propulsion, potentially reducing dedicated propellant mass and increasing overall system efficiency. One promising approach is to develop shared-resource architectures that integrate ECLSS with propulsion systems. This study examines the potential of such integration through the Sabatier CO₂ reduction process, focusing on water management as a key factor in system mass trade-offs. The Sabatier reaction produces water and methane from metabolic CO 2 and electrolytic hydrogen, partially closing the life support loop and providing methane, which could serve as a propellant. This integration could minimize waste, reduce resupply requirements, and enhance mission mass efficiency. A dynamic modeling framework will be used to simulate resource flows over long missions, capturing interactions between life support and propulsion. By comparing integrated versus separate system configurations, the study aims to quantify mass benefits and penalties, informing future habitat designs and trade studies for missions prioritizing autonomy and mass efficiency.

ECLSS↗
DOE OSTI2025

Tautomerism induces bending and twisting of biogenic crystals

Understanding and exploiting material flexibility through phenomena such as the bending and twisting of molecular crystals has been a subject of increased interest owing to the number of applications that benefit from these properties, such as optoelectronics, mechanophotonics, soft robotics, and smart sensors. Here, we report the growth of spontaneously bent and twisted ammonium urate crystals induced by the keto–enol tautomerism of the urate molecule. The major tautomer is native to biogenic crystals, whereas the minor tautomer functions as an effective crystal growth modifier to induce naturally bent and twisted ammonium urate crystals. We show that the degree of curvature can be tailored based on the judicious selection of growth conditions. A combination of state-of-the-art microscopy and spectroscopy techniques are used to characterize the origin of bending. Spatially resolved nano-electron diffraction and high-resolution electron microscopy of naturally bent crystals show nearly single crystallinity with local lattice deformations generated by a combination of screw and edge dislocations. These observations are consistent with photoinduced force microscopy and contact resonance atomic force microscopy, which confirmed spatially resolved changes in the intermolecular interactions and the mechanical properties throughout the cross-sectional and axial regions of bent crystals. A mechanism of bending involving the generation of regionally specific dislocations is proposed as an alternative to more commonly reported models. These findings highlight a unique characteristic of tautomeric crystals that may have broader implications for other biogenic materials.

Science & Technology - Other Topics↗
NASA NTRSDate not supplied

Evaluating Crystallinity in Thermoplastic Composites for Aerospace Applications

Polymer matrix composites (PMCs) offer many benefits for the aerospace industry due to their potential for weight reduction when compared to metal or ceramic based materials. Most PMCs currently in flight use thermoset matrices, however, thermoplastic resins are being explored as alternatives due to their ability to be remelted, which is of particular interest due to the potential for in-situ repair and faster production. Most thermoplastic resins are semicrystalline polymers. The properties of semicrystalline thermoplastics are directly influenced by their crystallinity, which can vary due to many factors including thermal treatments, environmental conditions, and mechanical deformation. Within thermoplastic PMC parts, crystallinity gradients can arise due to variations in part geometry, across part thicknesses, and along bonded joints. Monitoring the crystallinity of thermoplastic composites is key to ensuring these materials meet the high demands required for aerospace. Several different analytical techniques exist that can be used to characterize the bulk crystallinity of thermoplastic materials. However, many existing methods lack the specificity required to identify the subtle variations in crystallinity that may play a significant role in the performance and durability of PMC parts. Because of this, a significant amount of work is still required to fully characterize and understand the crystallinity profiles of thermoplastic PMCs and the resulting impact to material properties. This talk discusses the use of multiple techniques such as Differential Scanning Calorimetry, Polarized Light Optical Microscopy, and Fourier-Transform Infrared Spectroscopy to characterize the crystallinity in carbon fiber/thermoplastic composites. Samples of different crystallinity profiles were manufactured using various cooling procedures. This work aims to provide the fundamental data necessary to understand the effects of crystallinity on thermoplastic PMCs, which is key to advancing their use in aerospace applications.

Thermoplastics↗
DOE OSTI2025

Influence of functional additives, fillers, and pigments on thermal and catalytic pyrolysis of polyethylene for waste plastic upcycling

Pyrolysis offers a relatively green and economical method to convert waste plastics into valuable chemicals and fuels without the need for harmful solvents, toxic chemicals, or costly high-pressure reactors. Despite its popularity among chemical upcycling technologies, industrial adoption suffers from feedstock heterogeneity, low-quality products, and catalyst deactivation. Most plastics in our daily lives are formulated with functional additives, fillers, and colorants. These additives remaining in end-of-life waste streams increase feedstock heterogeneity, creating a challenging issue in recycling plastics. Still, the potential impacts of additives on the chemical upcycling of plastics have been poorly understood. In this study, polyethylene compounded with a range of widely used additives (antioxidants, stabilizers, pigments, fillers, slip agents, and flame retardants) was subjected to both thermal pyrolysis and catalytic pyrolysis in different catalyst-to-feedstock contact modes. It showed that many inorganic additives, such as talc, kaolin, CaCO 3 , TiO 2 , carbon black, and zinc stearate, facilitated polymer decomposition during pyrolysis, increasing light hydrocarbons while also promoting aromatic and carbon residue formation. Conversely, antioxidants and stabilizers inhibited depolymerization, favoring heavier hydrocarbons. During catalytic pyrolysis with HZSM-5 zeolite, additives strongly enhanced aromatic and catalytic coke formation, especially when there was direct contact between plastics and catalysts. Although certain additives seem beneficial in the short term by promoting polymer cracking and improving the selectivity of aromatics, the transport of the additives and their degradation products and increased carbon coking can contaminate products, deactivate or modify catalysts, and foul reactors. These findings address a critical knowledge gap in effectively converting waste plastics via a greener route.

42 ENGINEERING↗
NASA NTRSDate not supplied

Preliminary Findings of the Experimental Development Unit Cold Flow Test for a Generation Zero Nuclear Propulsion Engine

Nuclear thermal propulsion (NTP) technology will greatly benefit human travel to Mars by significantly shortening transit times, improving crew safety, and providing more mission flexibility than traditional chemical rockets. As part of DRACO follow-on work to develop, build, and fly a generation zero NTP engine, a full scale flight-like experimental design unit (EDU) reactor was constructed to collect sufficient on-ground performance data to characterize flow induced vibrations (FIV) of critical reactor structures/components, inform development of the engine and reactor control algorithm, and collect pressure drop and flow distribution data across the reactor. The fluid conditions for the test program were designed to achieve system responses equivalent to that of an operational engine through all phases of engine operation including reactor startup, mainstage operation, reactor shutdown, and reactor cooldown. Over 100 tests were executed, flowing either GN2 or GHe through the EDU at varying flow rates and pressures. This experiment provided early validation of flow behavior and vibration risks before nuclear testing, boosted critical subsystem TRLs, informed design iterations, and reduced future test costs. The steady-state flow parameters for the experiment were modeled in Ansys Thermal Desktop, allowing rapid tuning and experiment-informed updates to a flight-like test matrix. The EDU dynamic environment was characterized with accelerometers, strain gauges, and high-frequency pressure transducers all sampled at 20 kHz. While many narrow-band oscillations were identified, no significant FIV occurred; the reactor structural responses tend to be enveloped by typical launch vehicle ascent vibration environments (defined up to 2 kHz), although significant energy is also present at higher frequencies.

Flow Induced Vibration↗
NASA NTRSDate not supplied

Battery Pack Shape Optimization using Transient Heat Conduction Coupled with Cell-Discharge Analysis

Battery electric systems exhibit significant time-dependence, especially when evaluated in the context of an aircraft mission profile with continually changing power demands. Additionally, when evaluating battery-powered aircraft concepts, it is important to accurately compute the temperature of the batteries and properly characterize the thermal response of the system. The temperature of the batteries has a significant impact on cell performance, in addition to safety considerations of maintaining battery temperatures below their operating limit. Because of these considerations, battery models for preliminary design and optimization of aircraft should include the capability to accurately compute the temperature distribution within the battery pack. Furthermore, battery pack designs should be as light-weight as possible to maximize the pack energy density, while also considering battery temperature limits. Here, we demonstrate a simultaneous trajectory and shape optimization of a battery pack concept, using a transient heat transfer finite element model coupled with a time-varying cell-discharge battery model to provide this capability. Including the transient finite element problem in the loop enables accurate temperatures that can be passed back to the cell discharge model, while the cell discharge model can supply the finite element model with time-varying heat boundary conditions to the finite element problem, further benefiting the fidelity of the thermal response of the batteries. We first demonstrate the coupling capability between the battery cell-discharge model and the transient finite-element heat transfer through an optimization which computes the optimal current profile for the battery pack while ensuring the battery temperatures remain below their operational limit. We then build on this optimization by adding shape optimization to the problem, which allows us to consider a composite objective function which also minimizes the mass of the battery pack, while also producing an optimal current discharge profile.

Optimization↗
DOE OSTI2026

Hybrid biophysical systems for atmospheric CO 2 capture

Negative emissions technologies will be essential for limiting anthropogenic global temperature increases to 2 °C in the later years of the 21st century. Carbonic anhydrase (CA) metalloenzymes catalyze the otherwise slow conversion of CO 2 into carbonic acid (H 2 CO 3 ), suggesting their utility in the rapid hydration and downstream capture of dissolved CO 2 in aqueous media for a variety of CO 2 capture methods, such as thermal and pH swings and mineralization. The possibility of driving the rapid capture of CO 2 by catalyzing the CO 2 hydration bottleneck carries real potential for realizing efficient direct air capture (DAC) and direct ocean capture (DOC) systems. However, scaled application of CAs will be dependent on some way of economically sourcing the enzymes at volumes relevant to scaled DAC/DOC operations. In this perspective, we consider the prospect of catalyzing CO 2 hydration using a CA that is bound to the outer membrane of a cyanobacterial host, engineered constructs we call CyCAMs. Coupling extracellular CA expression to a marine, photosynthetic cyanobacterial host results in a CO 2 hydration catalyst that is continuously refreshed during the bacterial growth cycle, without the need for enzyme purification or harvesting steps. In the case of marine cyanobacteria, sunlight and the solutes native to seawater provide the respective energy, nutrients and sources of inorganic carbon essential to maintaining the bacterial population. We consider the potential impact of CA-mediated CO 2 hydration on a variety of DAC processes, with CO 2 mineralization explored as a primary use case.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗