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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 OSTI2024

CIGS Technology Advancement via Fundamental Modeling of Defect/Impurity Interactions (Final Technical Report)

The primary goals of the proposed work were to provide modeling tools (and the associated insight which comes along with model development) for design and optimization of CuIn x Ga 1-x Se 2 (CIGS) and CdSeTe (CST) solar cell manufacturing processes and to establish the foundation for comprehensive end-to-end predictive modeling tools to enable optimization of thin film photovoltaic technology for performance, cost, yield, and reliability. The initial focus of efforts within this project was to develop coupled process/optical/device models for CIGS PV technology and to work with Siva Power to apply that TCAD (technology computer-aided design) system to improve the efficiency and reduce manufacturing costs for CIGS solar cells. Our approach to that end was to generate an extensive database of DFT calculations and to use those calculations via statistical thermodynamics methods and Monte Carlo simulation to develop and characterize models for the behavior of native defects as well as intentional and unintentional impurities, including the redistribution of the primary components of CIGS films. Increased effort went toward coupling those models for defect behavior and composition evolution to the performance of multicrystalline CIGS solar cells via prediction of doping level and recombination lifetime as function of manufacturing process. In the second budget period, the project pivoted to developing a similar system for the CdSeTe system, focused especially on understanding the role of Se/Te alloy concentration. Execution of the project resulted in the successful development of TCAD systems for both CIGS and CdSeTe thin film PV within the Synopsys Sentaurus framework by utilizing the Alagator interface. In the first budget period of the project, we developed quantitative models for the major components of CIGS PV and implemented them within a framework that couples process, optical, and device simulation. From the insights we have gained, we identified novel opportunities for enhancing CIGS solar cell performance and have laid the groundwork to further optimize the layer structure, composition profile, and thermal cycles for substantially improved efficiency and lower manufacturing costs. For the CIGS system, process changes to achieve greater than 1% absolute enhancement in efficiency were identified, but testing of those approaches was stymied by lack of a domestic CIGS manufacturing partner after the closure of Siva Power as well as Miasole. For CdSeTe, a fully capable TCAD system only became ready to apply near the end of the project period, so substantial opportunities remain to apply those models to enhance the leading thin film PV technology.

14 SOLAR ENERGY↗
NASA NTRS2000

The Performance of Advanced Solar Cells for Interplanetary Missions

Recent advances in space cell technology have produced substantial increases in Air Mass zero efficiency. Since these cells have been developed primarily for Earth orbiting missions, little is known of their behavior at distances far from the sun.

solar cells LILT interplanetary missions↗
NASA NTRS2019

Developing High-Throughput Organ-On-A-Chip Models to Investigate the Effects of Ionizing Radiation on the Central Nervous System

One of the main health risks in human space exploration is central nervous system (CNS) damage by ionizing radiation. Irradiation with simulated GCRs or their components, or high doses of low-LET radiation such as gamma rays, in animal models has been shown to cause neuronal damage together with glial cell activation and neuroinflammation and has been associated with prolonged cognitive and behavioral dysfunction. The extent of CNS damage in response to any insult, including ionizing radiation, is partially regulated by the blood-brain barrier (BBB), which enables immune cells to enter the CNS. The main cellular regulators of BBB permeability are astrocytes, which also modulate neuronal death, immune responses and oxidative stress, and thus could serve as a robust CNS-specific target for countermeasure development. However, studies on BBB permeability and astrocyte functions in regulating CNS responses to ionizing radiation have been limited, especially in human tissue/organ analogs. Therefore, we have established a high throughput 3D organ-on-a-chip system to study human CNS functions in response to ionizing radiation, with the eventual goal of adapting it to spaceflight missions. We utilized commercially available OrganoPlate system (Mimetas, Inc.) seeded with primary or induced pluripotent stem cell-derived human cells for developing 3D neuronal-astrocytic and BBB models. We investigated both immediate and delayed CNS dose responses to 0.5-1 Gy X-rays by measuring BBB permeability and morphology, and astrocyte activation. We have also quantified secreted markers of oxidative stress and cell viability. In the future, we are planning to monitor dendritic, axonal and synaptic changes in neurons, evaluate the combined exposures to simulated microgravity and ionizing radiation, and compare the responses to low and high-LET ionizing radiation. We anticipate these studies could indicate novel cellular and mechanistic targets for countermeasure developments to improve CNS functions in astronauts.

Malkani, Sherina↗
NASA NTRS2006

Thermal Expansion of Polyurethane Foam

Closed cell foams are often used for thermal insulation. In the case of the Space Shuttle, the External Tank uses several thermal protection systems to maintain the temperature of the cryogenic fuels. A few of these systems are polyurethane, closed cell foams. In an attempt to better understand the foam behavior on the tank, we are in the process of developing and improving thermal-mechanical models for the foams. These models will start at the microstructural level and progress to the overall structural behavior of the foams on the tank. One of the key properties for model characterization and verification is thermal expansion. Since the foam is not a material, but a structure, the modeling of the expansion is complex. It is also exacerbated by the anisoptropy of the material. During the spraying and foaming process, the cells become elongated in the rise direction and this imparts different properties in the rise direction than in the transverse directions. Our approach is to treat the foam as a two part structure consisting of the polymeric cell structure and the gas inside the cells. The polymeric skeleton has a thermal expansion of its own which is derived from the basic polymer chemistry. However, a major contributor to the thermal expansion is the volume change associated with the gas inside of the closed cells. As this gas expands it exerts pressure on the cell walls and changes the shape and size of the cells. The amount that this occurs depends on the elastic and viscoplastic properties of the polymer skeleton. The more compliant the polymeric skeleton, the more influence the gas pressure has on the expansion. An additional influence on the expansion process is that the polymeric skeleton begins to breakdown at elevated temperatures and releases additional gas species into the cell interiors, adding to the gas pressure. The fact that this is such a complex process makes thermal expansion ideal for testing the models. This report focuses on the thermal expansion tests and the response of the microstructure. A novel optical method is described which is appropriate for measuring thermal expansion at high temperatures without influencing the thermal expansion measurement. Detailed microstructural investigations will also be described which show cell expansion as a function of temperature. Finally, a phenomenological model on thermal expansion will be described.

Lerch, Bradley A.↗
DOE OSTI2024

Hydride-Based Interlayer for Solid-State Anode-Free Battery

Solid-state batteries (SSBs) are considered a promising approach to realizing an anode-free concept with high energy densities. However, the initial Coulombic efficiency (ICE) has remained insufficient for anode-free batteries using sulfide-based solid electrolytes (SEs). Herein, we incorporated a hydride-based interlayer, 3LiBH 4 -LiI (LBHI), between a typical sulfide SE, Li 6 PS 5 Cl, and the Cu current collector. Further, by investigating the Li plating and stripping behaviors and the (electro)chemical stability between SEs and plated Li, we demonstrated that LBHI can effectively improve interfacial stability, leading to an ICE exceeding 94% in anode-free half cells. This interlayer also improves Coulombic efficiencies and specific capacities in anode-free full cells. Furthermore, the utilization of LBHI enables one to study Li plating behaviors without interference from interfacial (electro)chemical instabilities. The analysis of stack pressure evolution during electrochemical cycling reveals that soft shorting in SSBs arises from both dendrite formation and deformation, offering insights into further optimizing solid-state anode-free batteries.

25 ENERGY STORAGE↗
NASA NTRS1999

An Analysis of the Macroscopic Tensile Behavior of a Nonlinear Nylon Reinforced Elastomeric Composite System Using MAC/GMC

A special class of composite laminates composed of soft rubbery matrices and stiff reinforcements made of steel wires or synthetic fibers is examined, where each constituent behaves in a nonlinear fashion even in the small strain domain. Composite laminates made of piles stacked at alternating small orientation angles with respect to the applied axial strain are primarily dominated by the nonlinear behavior of the reinforcing fibers. However; composites with large ply orientations or those perpendicular to the loading axis, will approximate the behavior of the matrix phase and respond in even a more complex fashion for arbitrarily stacked piles. The geometric nonlinearity due to small cord rotations during loading was deemed here to have a second order effect and consequently dropped from any consideration. The user subroutine USRMAT within the Micromechanics Analysis Code with the Generalized Method of Cells (MAC/GMC), was utilized to introduce the constituent material nonlinear behavior. Stress-strain behavior at the macro level was experimentally generated for single and multi ply composites comprised of continuous Nylon-66 reinforcements embedded in a carbon black loaded rubbery matrix. Comparisons between the predicted macro composite behavior and experimental results are excellent when material nonlinearity is included in the analysis. In this paper, a brief review of GMC is provided, along with a description of the nonlinear behavior of the constituents and associated constituent constitutive relations, and the improved macro (or composite) behavior predictions are documented and illustrated.

Assaad, Mahmoud↗
DOE OSTI2022

Overall Performance Losses and Activated Mechanisms in Double Glass and Glass-backsheet Photovoltaic Modules with Monofacial and Bifacial PERC Cells, under Accelerated Exposures

Commercial PV modules have various packaging choices nowadays, which influence their long-term reliability. This study compared the degradation behaviors of sixteen module variants from two brands with varying encapsulant materials (EVA or POE), encapsulant types, module architectures (GB or DG), and cell types (monofacial or bifacial) using null hypothesis testing to determine statistical significant findings. The modules were exposed for 2,520 hours under two accelerated exposures: modified damp heat (mDH) and modified damp heat with full-spectrum light (mDH+FSL). For both brands, two DG module variants with UV-Cutoff rear encapsulant are found to have significantly lower average power loss than the module variants of EVA+GB with opaque rear encapsulant after each accelerated exposure. Metallization interconnect corrosion is identified as the primary degradation mechanism. Furthermore, unsupervised hierarchical clustering finds that the degradation behaviors of modules from one brand with a more strict manufacturing quality control depends on module architectures only.

14 SOLAR ENERGY↗
DOE OSTI2020

Effect of Dispersion Medium Composition and Ionomer Concentration on the Microstructure and Rheology of Fe–N–C Platinum Group Metal-free Catalyst Inks for Polymer Electrolyte Membrane Fuel Cells

In this paper, we present an investigation of the microstructure and rheological behavior of catalyst inks consisting of Fe–N–C platinum group metal-free catalysts and a perfluorosulfonic acid ionomer in a dispersion medium (DM) of water and 1-propanol ( n PA). The effects of the ionomer-to-catalyst (I/C) ratio and weight percentage of water (H 2 O %) in the DM on the ink microstructure were studied. Steady-shear and dynamic-oscillatory-shear rheology, in combination with synchrotron X-ray scattering, was utilized to understand interparticle interactions and the level of agglomeration of the inks. In the absence of the ionomer, the inks were significantly agglomerated, approaching a gel-like microstructure for catalyst concentrations as low as 2 wt %. The effect of H 2 O % in the DM on particle agglomeration was found to vary with particle concentration. In concentrated inks (≥2 wt % catalyst), increasing H 2 O % was found to increase agglomeration because of the hydrophobic nature of the catalysts. In dilute inks (<1 wt % catalyst), the trend was reversed with increasing H 2 O %, suggesting that electrostatic interactions are dominating the behavior. In inks with 5 wt % catalyst, the addition of an ionomer was found to significantly stabilize the catalyst against agglomeration. Maximum stability was observed at 0.35 I/C for all DM H 2 O % studied. At high ionomer concentrations (I/C > 0.35), interesting differences were observed between n PA-rich inks (H 2 O % ≤ 50%) and H 2 O-rich (82% H 2 O) inks. The n PA-rich inks remained predominantly stable—ink viscosity only weakly increased with I/C and the Newtonian behavior was maintained for I/C up to 0.9. In contrast, the H 2 O-rich inks exhibited a significant increase in viscoelasticity with increasing I/C, suggesting flocculation of the catalyst by the ionomer. These differences suggest that the nature of the interactions between the ionomer and catalyst is highly dependent on the H 2 O % in the DM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Separator Effect on Zinc Electrodeposition Behavior and Its Implication for Zinc Battery Lifetime

We report uncontrolled zinc electrodeposition is an obstacle to long-cycling zinc batteries. Much has been researched on regulating zinc electrodeposition, but rarely are the studies performed in the presence of a separator, as in practical cells. Here, we show that the microstructure of separators determines the electrodeposition behavior of zinc. Porous separators direct zinc to deposit into their pores and leave “dead zinc” upon stripping. In contrast, a nonporous separator prevents zinc penetration. Such a difference between the two types of separators is distinguished only if caution is taken to preserve the attachment of the separator to the zinc-deposited substrate during the entire electrodeposition–morphological observation process. Failure to adopt such a practice could lead to misinformed conclusions. Our work reveals the mere use of porous separators as a universal yet overlooked challenge for metal anode-based rechargeable batteries. Countermeasures to prevent direct exposure of the metal growth front to a porous structure are suggested.

25 ENERGY STORAGE↗
DOE OSTI2024

Non-DNA radiosensitive targets that initiate persistent behavioral deficits in rats exposed to space radiation

Predicting future CNS risks for astronauts during deep-space missions will rely substantially on ground-based rodent data with space-relevant ions and behaviors. For rats, the accumulated evidence indicates that less densely ionizing radiation, such as 4 He and 12 C ions, induce behavior deficits at lower doses than densely ionizing ions, such as 48 Ti and 56 Fe. However, this observation conflicts with standard somatic radiobiology, in which densely ionizing ions are generally more effective than less densely ionizing ions, and where the DNA/nucleus is the accepted target for radiation-induced tumorigenesis, cytogenetic aberrations, genetic mutations, and reproductive cell death. To gain deeper insight into the subcellular nature of the radiation targets for behavior risks, we compared the effects of dose, fluence, and linear energy transfer (LET) of 4 He and 56 Fe particles using existing datasets for four distinct behavioral outcomes in rats: elevated plus maze (EPM-anxiety), novel object recognition (NOR-memory), operant responding (OR-response to environmental stimuli), and attentional set-shifting (ATSET-cognitive flexibility). We confirmed that less densely ionizing particles (except protons) showed ~100-fold lower threshold doses than densely ionizing particles for behavioral deficits (0.1–1 cGy for 4 He vs. 15–100 cGy for 56 Fe). However, when analyzed by fluence the behavioral responses converged, indicating that 4 He and 56 Fe were equally effective on a per-track basis. When analyzed by LET, there were ~100-fold differences in the LET for maximum effectiveness for behavioral deficits and DNA endpoints (~1 vs ~100 keV/μm, respectively). These unique features of radiation-induced behavioral deficits (high sensitivity to particles in the 1-keV/μm range, insensitivity to protons in the 0.2 keV/μm range, and isofluence dependence for particles with LET>1 keV/μm) provide evidence in support of a new hypothesis of sub-micron sized radiosensitive targets for behavioral effects consistent with the thickness of plasma membranes and/or small subcellular structures, smaller than a whole synapse. Like our behavior findings, mouse immature oocyte killing which is known to have a plasma membrane target was also better explained by fluence, rather than dose. In contrast, fluence analyses for DNA/nuclear endpoints in somatic cells (e.g., tumor induction, chromosome aberrations) showed opposite results, suggesting that behavior targets are not DNA. Our findings raise questions regarding the identity of subcellular targets and the multi-cellular functional unit for behavior risks, low-dose susceptibility, and generalizability from rat to other species and astronauts.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2024

Design patterns of biological cells

Design patterns are generalized solutions to frequently recurring problems. They were initially developed by architects and computer scientists to create a higher level of abstraction for their designs. Here, we extend these concepts to cell biology to lend a new perspective on the evolved designs of cells' underlying reaction networks. We present a catalog of 21 design patterns divided into three categories: creational patterns describe processes that build the cell, structural patterns describe the layouts of reaction networks, and behavioral patterns describe reaction network function. Applying this pattern language to the E. coli central metabolic reaction network, the yeast pheromone response signaling network, and other examples lends new insights into these systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

The regulation of animal behavior by cellular stress responses

Cellular stress responses exist to detect the effects of stress on cells, and to activate protective mechanisms that promote resilience. As well as acting at the cellular level, stress response pathways can also regulate whole organism responses to stress. One way in which animals facilitate their survival in stressful environments is through behavioral adaptation; this review considers the evidence that activation of cellular stress responses plays an important role in mediating the changes to behavior that promote organismal survival upon stress.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Impact of Porous Transport Layer Morphology on the Performance of Proton Exchange Membrane Water Electrolyzers with Ultra-Low Iridium Loadings

Reducing Ir loadings in proton exchange membrane water electrolyzer anodes is critical for lowering capital expenses. Loading reduction could be achieved by improving the Ir activity via doping/alloying and/or the development of advanced microstructures. However, the anode porous transport layer (PTL) is a comparatively simple component whose properties also impact Ir utilization. Therefore, well-designed PTLs may also enable reduced Ir loadings. In this work, we survey eight PTLs from various manufacturers to observe their impact on cell performance at low (0.4 mg Ir cm -2 ) and ultralow (0.1 mg Ir cm -2 ) Ir loadings. The PTLs were characterized by their microstructural properties, including porosity, particle size distribution, and pore size distribution. Electrochemical cell performance was correlated to PTL morphology, and it was found that PTLs with lower porosities and smaller particle and pore radii enabled good performance even at ultralow Ir loadings. 1000-h durability testing indicated that using lower porosity PTLs can significantly improve durability behavior. A runaway voltage phenomenon was observed during durability testing of cells with ultralow Ir loadings, which was caused by increases in both anode and cathode overpotentials. Furthermore, we observed that the beginning of test performance of 0.1 mg Ir cm -2 cells correlates to the 1000-h degradation rates of 0.4 mg Ir cm -2 cells, suggesting that for the Ir catalyst used in this work, short-term testing at ultralow loadings can be used as an indicator of long-term degradation at higher loadings.

08 HYDROGEN↗
NASA NTRS2001

The Applicability of the Generalized Method of Cells for Analyzing Discontinuously Reinforced Composites

The paper begins with a short overview of the recent work done in the field of discontinuous reinforced composites, focusing on the different parameters which influence the material behavior of discontinuous reinforced composites, as well as the various analysis approaches undertaken. Based on this overview it became evident that in order to investigate the enumerated effects in an efficient and comprehensive manner, an alternative approach to the computationally intensive finite-element based micromechanics approach is required. Therefore, an investigation is conducted to demonstrate the utility of utilizing the generalized method of cells (GMC), a semi-analytical micromechanics-based approach, to simulate the elastic and elastoplastic material behavior of aligned short fiber composites. The results are compared with simulations using other micromechanical based mean field models and finite element (FE) unit cell models found in the literature given elastic material behavior, as well as finite element unit cell and a new semianalytical elastoplastic shear lag model in the inelastic range. GMC is shown to definitely have a window of applicability when simulating discontinuously reinforced composite material behavior.

Pahr, D. H.↗
DOE OSTI2023

Cell Extracts from Bacteria and Yeast Retain Metabolic Activity after Extended Storage and Repeated Thawing

Cell-free synthetic biology enables rapid prototyping of biological parts and synthesis of proteins or metabolites in the absence of cell growth constraints. Cell-free systems are frequently made from crude cell extracts, where composition and activity can vary significantly based on source strain, preparation and processing, reagents, and other considerations. This variability can cause extracts to be treated as black boxes for which empirical observations guide practical laboratory practices, including a hesitance to use dated or previously thawed extracts. To better understand the robustness of cell extracts over time, we assessed the activity of cell-free metabolism during storage. As a model, we studied conversion of glucose to 2,3-butanediol. We found that cell extracts from Escherichia coli and Saccharomyces cerevisiae subjected to an 18-month storage period and repeated freeze-thaw cycles retain consistent metabolic activity. Here this work gives users of cell-free systems a better understanding of the impacts of storage on extract behavior.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

PCGF3 promotes the proliferation and migration of non-small cell lung cancer cells via the PI3K/AKT signaling pathway

Highlights: • PCGF3 is highly expressed in non-small cell lung cancer (NSCLC) tissues. • PCGF3 overexpression positively correlates with lymph node metastasis and p-TNM staging. • PCGF3 promotes NSCLC cells proliferation by regulating CyclinB1, CyclinD1, and CDK4. • PCGF3 promotes NSCLC cells migration by regulating RhoA, RhoC, and CDC42. • PCGF3 promotes malignant behavior in NSCLC by positively regulating the PI3K/AKT signaling pathway. The Polycomb Group Ring Finger 3 (PCGF3) protein has been reported to be significantly upregulated in pancreatic islet tumors and related to signal transduction; however, its detailed mechanisms and biological roles in other tumors, including non-small cell lung cancer (NSCLC), remain unclear. This study investigated the function of PCGF3 in NSCLC and further elucidated its mechanism of action. The immunohistochemical analysis of 86 selected lung cancer tissues revealed that PCGF3 was highly expressed in NSCLC tissues and positively correlated with lymph node metastasis and p-TNM staging. Additionally, PCGF3 promoted cell proliferation in lung cancer by regulating CyclinB1, CyclinD1, and CDK4 expression, and also promoting their migration by regulating RhoA, RhoC, and CDC42. Furthermore, PCGF3 affected both the proliferation and migration of lung cancer cells by regulating the PI3K/AKT pathway, as verified by inhibiting this pathway using LY294002. The findings of this study suggested that PCGF3 is associated with poor prognosis in patients with NSCLC and could therefore be an important biomarker for treating and preventing NSCLC.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2018

Coupled Thermomechanical Micromechanics Modeling of the Influence of Thermally Grown Oxide Layer in an Environmental Barrier Coating System

Environmental Barrier Coatings (EBCs) have emerged as a promising means of protecting critical components for high temperature applications (e.g., aircraft engines). EBCs are often used to protect an underlying material (substrate) from extreme thermal/chemical environments. However, systems that utilize EBCs are susceptible to a number of failure modes including oxidation/delamination. Environmental Barrier Coatings (EBCs) have emerged as a promising means of protecting silicon based ceramic matrix composite (CMC) components for high temperature applications (e.g., aircraft engines). EBCs are often used to protect an underlying material (substrate) such as silicon carbide from extreme thermal/chemical environments. In a typical CMC/EBC system, an EBC may or may not be adhered to an underlying substrate with a bond coat (e.g., silicon). Irrespective, systems that utilize EBCs are susceptible to a number of failure modes including oxidation/delamination, recession, chemical attack and dissolution, thermo-mechanical degradation, erosion, and foreign object damage. Current work at NASA Glenn Research Center is aimed at addressing these failure modes in EBC systems and developing robust analysis tools to aid in the design process. The Higher-Order Theory for Functionally Graded Materials (HOTFGM), a precursor to the High-Fidelity Generalized Method of Cells micromechanics approach, was developed to investigate the coupled thermo-mechanical behavior of functionally graded composites and will be used herein to assess the development and growth of a low-stiffness thermally grown oxide (TGO) layer in EBC/CMC systems without a silicon bond coat. To accomplish this a sensitivity study is conducted to examine the influence of uniformly and non-uniformly grown oxide layer on the associated driving forces leading to mechanical failure (spallation) of EBC layer when subjected to isothermal loading, recession, chemical attack and dissolution, thermomechanical degradation, erosion, and foreign object damage. Current work at NASA Glenn Research Center is aimed at addressing these failure modes in EBC systems and developing robust analysis tools to aid in the design process. The Higher-Order Theory for Functionally Graded Materials (HOTFGM), a precursor to the High-Fidelity Generalized Method of Cells micromechanics approach, was developed to investigate the coupled thermo-mechanical behavior of functionally graded composites (Aboudi et al., 1999, Composites B). For example, HOTFGM was previously used (Arnold et al, 1995, NASA CP 10178, paper 34), to assess interlaminar stresses (including free edge effects) in a substrate with a thermal barrier coating (TBC). In this study, HOTFGM micromechanics analyses will be used to assess the development and growth of a low-stiffness thermally grown oxide (TGO) layer between a silicon carbide substrate and a ytterbium disilicate EBC. In order to realistically simulate TGO growth, an evolution law will be incorporated into HOTFGM. In addition, the effect of TGO roughness will be explored consistent with previous TBC work (Pindera et al., 2000. Material Science and Engineering, A284, pp. 158-175). This model represents a first step in developing a robust analysis tool that can ultimately be used to design durable EBC systems. Additional failure modes will be considered as part of a future work.

environmental barrier coating↗