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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Conservative buffering of approximate nonlinear constraints

In engineering design practice behavior is usually predicted based on some known nominal design. However, when the design is fabricated it will differ from the nominal design because of manufacturing tolerances. In order to generate nominal designs that will still satisfy behavior constraints in the presence of manufacturing tolerances, engineers resort to the use of safety factors, over and above those introduced to account for other uncertainties (e.g., in load conditions, material properties, analysis modeling). The accurate selection of the values of these manufacturing tolerances safety factors is dependent on the capability of the engineer to determine the sensitivity of the critical constraints to changes in the design variables. This process usually leads to overly conservative designs. The task of choosing safety factors is much more difficult in structural synthesis because: (1) it is not known which constraints will be active at the final design, (2) as the design changes during the synthesis process the sensitivities of the constraints with respect to the design variables also change, and (3) the imposition of the safety factors themselves may change the set of critical constraints. These difficulties can be overcome with the approximation concepts approach to structural synthesis by buffering the approximate constraints with quantities that are related to the design variable tolerances and the accurate sensitivities of the constraints with respect to the design variable. Designs generated by this approach tend to be feasible but not overly conservative.

Thomas, H. L.↗
DOE OSTI2022

On the efficacy of post-build thermomechanical treatments to improve properties of Zirconium fabricated using ultrasonic additive manufacturing

Here, hot-isostatic pressing has been applied to Zirconium plate fabricated using the ultrasonic additive manufacturing (UAM) technique to enhance interfacial bond quality. Specimens heated to 800 C for 1 h at 100 MPa pressure showed grain growth across many prior foil-to-foil interfaces, thereby increasing foil adhesion. In addition to the material softening induced by a loss of Hall-Petch strengthening, premature failure of specimens loaded parallel to the build direction was observed. Premature specimen failure was attributed to the local delamination at prior foil-to-foil boundaries where grain growth was pinned by Ti impurities introduced during the UAM process via the interaction between a Ti-alloy buffer foil and the welded Zr-foils underneath. In addition, the presence of Ti along select foil interfaces resulted in the nucleation and growth of secondary (Zr,Ti)(Fe,Cr) laves phases during higher-temperature thermomechanical processing. Using a combination of micro-scale X-ray computed tomography, fractography, and in-situ digital image correlation, the effect of defects along prior foil-to-foil boundaries was revealed as delamination-assisted plasticity accelerated specimen failure in preferred tensile orientations. These findings underscore the importance of impurity control when optimizing weld quality of higher-strength material systems using ultrasonic welding.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ion-specific phenomena limit energy recovery in forward-biased bipolar membranes

The ability for bipolar membranes (BPMs) to interconvert voltage and pH makes them attractive materials for use in energy conversion and storage. Reverse-biased BPMs, which use electrical voltage to dissociate water into acid and base, have become increasingly well studied. However, forward-biased BPMs (FB-BPMs), in which voltage is extracted from pH gradients through recombination, require further study. Here physics-based modeling elucidates how the complex coupling of transport and kinetics dictates the performance of FB-BPMs in electrochemical devices. Simulations reveal that the open-circuit potential of FB-BPMs is dictated by the balance of ion recombination and crossover, where recombination of buffering counter-ions attenuates the open-circuit potential. Counter-ion mass-transport limitations and uptake of ionic impurities limit achievable current densities by reducing the applied pH gradient or the available fixed-charge sites that mediate recombination. Further, the model highlights the importance of selective ion management in mitigating energy losses and provides insight into the rational material design of FB-BPMs for energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Non-Toxic, Low-Freezing, Drop-In Replacement Heat Transfer Fluids

A non-toxic, non-flammable, low-freezing heat transfer fluid is being developed for drop-in replacement within current and future heat transfer loops currently using water or alcohol-based coolants. Numerous water-soluble compounds were down-selected and screened for toxicological, physical, chemical, compatibility, thermodynamic, and heat transfer properties. Two fluids were developed, one with a freezing point near 0 C, and one with a suppressed freezing point. Both fluids contain an additive package to improve material compatibility and microbial resistance. The optimized sub-zero solution had a freezing point of 30 C, and a freezing volume expansion of 10-percent of water. The toxicity of the solutions was experimentally determined as LD(50) greater than 5g/kg. The solutions were found to produce minimal corrosion with materials identified by NASA as potentially existing in secondary cooling loops. Thermal/hydrodynamic performance exceeded that of glycol-based fluids with comparable freezing points for temperatures Tf greater than 20 C. The additive package was demonstrated as a buffering agent to compensate for CO2 absorption, and to prevent microbial growth. The optimized solutions were determined to have physically/chemically stable shelf lives for freeze/thaw cycles and longterm test loop tests.

Cutbirth, J. Michael↗
DOE OSTI2020

Significantly Improved Cyclability of Conversion-Type Transition Metal Oxyfluoride Cathodes by Homologous Passivation Layer Reconstruction

Electrode stabilization by surface passivation has been explored as the most crucial step to develop long-cycle lithium-ion batteries (LIBs). In this work, functionally graded materials consisting of “conversion-type” iron-doped nickel oxyfluoride (NiFeOF) cathode covered with a homologous passivation layer (HPL) are rationally designed for long-cycle LIBs. The compact and fluorine-rich HPL plays dual roles in suppressing the volume change of NiFeOF porous cathode and minimizing the dissolution of transition metals during LIBs cycling by forming a structure/composition gradient. The structure and composition of HPL reconstructs during lithiation/delithiation, buffering the volume change and trapping the dissolved transition metals. As a result, a high capacity of 175 mAh g -1 (equal to an outstanding volumetric capacity of 936 Ah L -1 ) with a greatly reduced capacity decay rate of 0.012% per cycle for 1000 cycles is achieved, which is superior to the NiFeOF porous film without HPL and commercially available NiF 2 -FeF 3 powders. Finally, the proposed chemical and structure reconstruction mechanism of HPL opens a new avenue for the novel materials development for long-cycle LIBs.

25 ENERGY STORAGE↗
DOE OSTI2026

Effect of Thermodynamic and Environmental Factors on Crystallization of DNA‐Origami Superlattices

The directed self‐assembly of nanoscale materials into ordered superlattices presents a powerful strategy for creating next‐generation materials with programmable mechanical, optical, and photonic properties. Deoxyribonucleic acid (DNA) origami has emerged as a versatile scaffold for encoding nanoscale geometry and guiding the crystallization of complex 3D architectures. However, a systematic understanding of the parameters that govern the efficiency and quality of superlattice formation remains limited. In this study, we utilize octahedral DNA nanoscale frames as a model system to investigate the relative influence of key factors, including buffer composition, ionic strength, frame concentration, and thermal annealing protocols, on the size, order, and reproducibility of the resulting superlattices. Our findings provide a quantitative framework to rationally optimize DNA‐based assembly pathways. Structural characterization via small‐angle x‐ray scattering (SAXS), scanning electron microscopy (SEM), and optical microscopy validates the quality and fidelity of the assembled lattices. Moreover, by templating these DNA frameworks into inorganic replicas, we establish general design principles that extend beyond biomolecular systems, providing a foundation for the synthesis of programmable materials in broader nanofabrication contexts.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Continuous precipitation‐filtration process for initial capture of a monoclonal antibody product using a four‐stage countercurrent hollow fiber membrane washing step

The significant increase in product titers, coupled with the growing focus on continuous bioprocessing, has renewed interest in using precipitation as a low‐cost alternative to Protein A chromatography for the primary capture of monoclonal antibody (mAb) products. In this work, a commercially relevant mAb was purified from clarified cell culture fluid using a tubular flow precipitation reactor with dewatering and washing provided by tangential flow microfiltration. The particle morphology was evaluated using an inline high‐resolution optical probe, providing quantitative data on the particle size distribution throughout the precipitation process. Data were obtained in both a lab‐built 2‐stage countercurrent washing system and a commercial countercurrent contacting skid that provided 4 stages of continuous washing. The processes were operated continuously for 2 h with overall mAb yield of 92 ± 3% and DNA removal of nearly 3 logs in the 4‐stage system. The high DNA clearance was achieved by selective redissolution of the mAb using a low pH acetate buffer. Host cell protein clearance was 0.59 ± 0.08 logs, comparable to that based on model predictions. The process mass intensity was slightly better than typical Protein A processes and could be significantly improved by preconcentration of the antibody feed material.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

Synthesis of phthalocyanine doped sol-gel materials

The synthesis of sol-gel silica materials doped with three different types of metallophthalocyanines has been studied. Homogeneous materials of good optical quality were prepared and the first optical limiting measurements of dyes in sol-gel hosts were carried out. The properties of these solid state limiters are similar to limiters based on phthalocyanine (Pc) in solution. Sol-gel silica materials containing copper, tin and germanium phthalocyanines were investigated. The initial step in all cases was to prepare silica sols by the sonogel method using tetramethoxy silane (TMOS), HCl and distilled water. Thereafter, the synthesis depended upon the specific Pc and its solubility characteristics. Copper phthalocyanine tetrasulfonic acid tetra sodium salt (CuPc4S) is soluble in water and various doping levels (1 x 10 (exp -4) M to 1 x 10 (exp -5) M) were added to the sol. The group IV Pc's, SnPc(OSi(n-hexyl)3)2 and GePc(OSi(n-hexyl)3)2, are insoluble in water and the process was changed accordingly. In these cases, the compounds were dissolved in THF and then added to the sol. The Pc concentration in the sol was 2 x 10(exp -5)M. The samples were then aged and dried in the standard method of making xerogel monoliths. Comparative nanosecond optical limiting experiments were performed on silica xerogels that were doped with the different metallophthalocyanines. The ratio of the net excited state absorption cross section (sigma(sub e)) to the ground state cross section (sigma(sub g)) is an important figure of merit that is used to characterize these materials. By this standard the SnPc sample exhibits the best limiting for the Pc doped sol-gel materials. Its cross section ratio of 19 compares favorably with the value of 22 that was measured in toluene. The GePc materials appear to not be as useful as those containing SnPc. The GePc doped solids exhibit a higher onset energy (2.5 mj and lower cross section ratio, 7. The CuPc4S sol-gel material has a still lower cross section ratio, 4, however, the tetrasulfonate groups make the dye soluble in water which greatly facilitates its incorporation into the sol-gel matrix. The nonlinear transmission of CuPc4S in a pH 2 buffer solution and in a silica xerogel were compared. It is evident that the CuPc4S preserves its optical limiting behavior in the sol-gel matrix, indicating that the fundamental excited state absorption process is essentially the same for a molecule in solution or in the solid state. Although the spectroscopic details of energy level lifetimes are unknown, the significance is that passive optical limiting has been achieved in the solid state via incorporation of a dye into an inorganic host. The only compromise occurs at the extremely high energy regime where photobleaching is observed. This is a result of the limited mobility of the dye molecules in the solid silica host relative to a liquid host. The effects of photodegradation in the xerogel are additive, whereas the solution provides a supply of fresh molecules that are free to enter the active volume between pulses.

Dunn, Bruce↗
DOE OSTI2025

An epitaxial surface heterostructure anchoring approach for high-performance Ni-rich layered cathodes

Nickel-rich (Ni≥90%) layered oxides materials have emerged as a promising candidate for next-generation high-energy-density lithium-ion batteries (LIBs). However, their widespread application is hindered by structural fatigue and lattice oxygen loss. In this work, an epitaxial surface rock-salt nanolayer is successfully developed on the LiNi 0.9 Co 0.1 O 2 sub-surface via heteroatom anchoring utilizing high-valence element molybdenum modification. This in-situ formed conformal buffer phase with a thickness of 1.2nm effectively suppresses the continuous interphase side-reactions, and thus maintains the excellent structure integrity at high voltage. Furthermore, theoretical calculations indicate that the lattice oxygen reversibility in the anion framework of the optimized sample is obviously enhanced due to the higher content of O 2p states near the Fermi level than that of the pristine one. Meanwhile, the stronger Mo–O bond further reduces cell volume alteration, which improves the bulk structure stability of modified materials. Besides, the detailed charge compensation mechanism suggests that the average oxidation state of Ni is reduced, which induces more active Li + participating in the redox reactions, boosting the cell energy density. As a result, the uniquely designed cathode materials exhibit an extraordinary discharge capacity of 245.4 mAh g −1 at 0.1 C, remarkable rate performance of 169.3 mAh g −1 at 10 C at 4.5V, and a high capacity retention of 70.5% after 1000 cycles in full cells at a high cut-off voltage of 4.4V. Further, this strategy provides an valuable insight into constructing distinctive heterostructure on high-performance Ni-rich layered cathodes for LIBs.

25 ENERGY STORAGE↗
DOE OSTI2025

Thermodynamic and Kinetic Mechanisms Governing the Synthesis of Nickel-Poor Cathodes

A deeper understanding of the thermodynamics and kinetics governing the lithiation and layering mechanisms of NMC cathode materials (LiNixMnyCozO 2 , where x + y + z = 1) offers valuable insights for enhancing synthesis methods and improving cathode performance. By employing atomistic and mesoscale approaches informed by in situ powder X-ray diffraction (PXRD) experiments, critical parameters for comprehending lithiation and layering processes and reaction rates were identified. The mesoscale approach captured the evolution of the phases and crystallite size observed in the in situ PXRD, revealing the differences in reaction rates with the use of different lithium salts and starting precursors. Ab initio molecular dynamics (AIMD) underscored the importance of vacancies and structural defects in promoting ion mobility and facilitating the nucleation of a layered domain. This nucleation disrupts the symmetry of disordered phases, ultimately creating a strained phase that serves as a buffer between layered and disordered regions. The lithiation and layering processes reflect a dynamic balance between the thermodynamic drive for a low-energy layered structure and the kinetic of diffusion, which is influenced by temperature and lithium vacancy concentration. Overall, reaction mechanisms are driven by the inherent defects of the intermediate phase that differ for NMC cathode materials. The lithium salts impact the rates of lithiation and layering, with a much slower process for Li 2 CO 3 .

25 ENERGY STORAGE↗
NASA NTRS1985

Kidney Cell Electrophoresis

Materials and procedures for microgravity electrophoresis of living human embryonic kidney cells were evaluated, ground support in the form of analytical cell electrophoresis and flow cytometry was provided and cells returned from space flight were analyzed. Preflight culture media, electrophoresis buffer, fraction collection media, temperature profiles, and urokinase assay procedures were tested prior to flight. Electrophoretic mobility distributions of aliquots of the cell population to be fractionated in flight were obtained. The protocol established and utilized is given.

Todd, P.↗
NASA NTRS1990

Survivability characteristics of composite compression structure

Test and evaluation was performed to determine the compression residual capability of graphite reinforced composite panels following perforation by high-velocity fragments representative of combat threats. Assessments were made of the size of the ballistic damage, the effect of applied compression load at impact, damage growth during cyclic loading and residual static strength. Several fiber/matrix systems were investigated including high-strain fibers, tough epoxies, and APC-2 thermoplastic. Additionally, several laminate configurations were evaluated including hard and soft laminates and the incorporation of buffer strips and stitching for improved damage resistance of tolerance. Both panels (12 x 20-inches) and full scale box-beam components were tested to assure scalability of results. The evaluation generally showed small differences in the responses of the material systems tested. The soft laminate configurations with concentrated reinforcement exhibited the highest residual strength. Ballistic damage did not grow or increase in severity as a result of cyclic loading, and the effects of applied load at impact were not significant under the conditions tested.

Avery, John G.↗
DOE OSTI2022

High Carrier Lifetimes in Epitaxial Germanium-Tin/Al(In)As Heterostructures with Variable Tin Compositions

Group IV-based germanium-tin (Ge1-ySny) compositional materials have recently shown great promise for infrared detection, light emission and ultra-low power transistors. High carrier lifetimes are desirable for enhancing the detection limit and efficiency of photodetectors, low threshold current density in lasers, and low tunneling barrier height by lowering defects and dislocations at the heterointerface of a source and a channel. Here, carrier lifetimes in epitaxial germanium (Ge) and variable tin (Sn) compositional Ge1-ySny materials were experimentally determined on GaAs substrates using the contactless microwave photoconductive decay (u-PCD) technique at an excitation wavelength of 1500 nm. Sharp (2 x 2) reflection high energy electron diffraction patterns and low surface roughness were observed from the surface of the Ge0.97Sn0.03 epilayer. X-ray rocking curves from Ge0.97Sn0.03 and Ge0.94Sn0.06 layers demonstrated the pseudomorphic and lattice-matched growth on AlAs and In0.12Al0.88As buffers, respectively, further substantiated by reciprocal space maps and abrupt heterointerfaces evident from the presence of Pendellosung oscillations. High effective carrier lifetimes of 150 ns to 450 ns were measured for Ge1-ySny epilayers as a function of Sn composition, surface roughness, growth temperature, and layer thickness. The observed increase in the carrier lifetime with an increasing Ge layer thickness and a reducing surface roughness, by incorporating Sn, were explained. The enhancement of the carrier lifetime with an increasing Sn concentration was achieved by controlling the defects with lattice-matched Ge0.94Sn0.06/In0.12Al0.88As heterointerfaces or the pseudomorphic growth of Ge0.94Sn0.06 on GaAs. Therefore, our monolithic integration of variable Sn alloy compositional Ge1-ySny materials with high carrier lifetimes opens avenues to realize electronic and optoelectronic devices.

carrier lifetimes↗
DOE OSTI2023

Enhanced Switching Reliability of Hf 0.5 Zr 0.5 O 2 Ferroelectric Films Induced by Interface Engineering

Ferroelectric materials have been widely researched for applications in memory and energy storage. Among these materials and benefiting from their excellent chemical compatibility with complementary metal–oxide–semiconductor (CMOS) devices, hafnia-based ferroelectric thin films hold great promise for highly scaled semiconductor memories, including nonvolatile ferroelectric capacitors and transistors. However, variation in the switched polarization of this material during field cycling and a limited understanding of the responsible mechanisms have impeded their implementation in technology. Here, we show that ferroelectric Hf 0.5 Zr 0.5 O 2 (HZO) capacitors that are nearly free of polarization “wake-up”─a gradual increase in switched polarization as a function of the number of switching cycles─can be achieved by introducing ultrathin HfO 2 buffer layers at the HZO/electrodes interface. High-resolution transmission electron microscopy (HRTEM) reveals crystallite sizes substantially greater than the film thickness for the buffer layer capacitors, indicating that the presence of the buffer layers influences the crystallization of the film (e.g., a lower ratio of nucleation rate to growth rate) during postdeposition annealing. This evidently promotes the formation of a polar orthorhombic (O) phase in the as-fabricated buffer layer samples. Synchrotron X-ray diffraction (XRD) reveals the conversion of the nonpolar tetragonal (T) phase to the polar orthorhombic (O) phase during electric field cycling in the control (no buffer) devices, consistent with the polarization wake-up observed for these capacitors. The extent of T–O transformation in the nonbuffer samples is directly dependent on the duration over which the field is applied. Here these results provide insight into the role of the HZO/electrodes interface in the performance of hafnia-based ferroelectrics and the mechanisms driving the polarization wake-up effect.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Photovoltaic characteristics of n(+)pp(+) InP solar cells grown by OMVPE

The photovoltaic characteristics of n(+)/p/p(+) homojunction InP solar cells fabricated by organometallic vapor-phase epitaxy (OMVPE) are described. The cells are characterized by I-V, C-V and quantum efficiency measurements, and simulations are used to obtain various device and material parameters. The I-V characteristics show a high recombination rate in the depletion region; this is shown to be independent of the impurity used. It is shown that cadmium is easier to use as an acceptor for the p base and p(+) buffer and is therefore beneficial. The high quantum efficiency of 98 percent at long wavelengths measured in these cells indicates a very good collection efficiency in the base. The short-wavelength quantum efficiency is poor, indicating a high surface recombination.

Tyagi, S.↗
DOE OSTI2021

Materials for controlling the epitaxial growth of photoactive layers in photovoltaic devices

There is disclosed ultrathin film material templating layers that force the morphology of subsequently grown electrically active thin films have been found to increase the performance of small molecule organic photovoltaic (OPV) cells. There is disclosed electron-transporting material, such as hexaazatriphenylene-hexacarbonitrile (HAT-CN) can be used as a templating material that forces donor materials, such as copper phthalocyanine (CuPc) to assume a vertical-standing morphology when deposited onto its surface on an electrode, such as an indium tin oxide (ITO) electrode. It has been shown that for a device with HAT-CN as the templating buffer layer, the fill factor and short circuit current of CuPc:C60 OPVs were both improved compared with cells lacking the HAT-CN template. This is explained by the reduction of the series resistance due to the improved crystallinity of CuPc grown onto the ITO surface.

Forrest, Stephen R.↗
DOE OSTI2023

Presence of aromatic-rich organic matter and its characterization in grout materials: Implications for radionuclide immobilization

Grout materials are commonly used to immobilize low-level radioactive waste. Organic moieties can be unintentionally present in common ingredients used to make these grout waste forms, which may result in the formation of organo-radionuclide species. These species can positively or negatively affect the immobilization efficiency. However, the presence of organic carbon compounds is rarely considered in models or characterized chemically. Here, we quantify the organic pool of grout formulations with and without slag, as well as the individual dry ingredients used to make the grout samples (ordinary Portland cement (OPC), slag and fly ash), including total organic carbon (TOC) and black carbon, followed by aromaticity evaluation and molecular characterization via Electro Spray Ionization Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry (ESI-FTICRMS). All dry grout ingredients contained significant amounts of organic carbon, ranging from 550 mg/kg to 6250 mg/kg for the TOC pool, with an averaged abundance of 2933 ± 2537 mg/kg, of which 60 ± 29% was composed of black carbon. The significant abundance of a black carbon pool implies the presence of the aromatic-like compounds, which was further identified by both phosphate buffer-assisted aromaticity evaluation (e.g., >1000 mg-C/kg as aromatic-like carbon in the OPC) and dichloromethane (DCM) extraction with ESIFTICRMS analysis. Besides aromatic-like compounds, other organic moieties were also detected in the OPC, such as carboxyl-containing aliphatic molecules. While the organic compound only consists of minor fractions of the grout materials investigated, our observations of the presence of various radionuclide-binding organic moieties suggests the potential formation of organo-radionuclides, such as radioiodine, which might be present at lower molar concentrations than TOC. Here, evaluating the role of organic carbon complexation in controlling the disposed radionuclides, especially for those radionuclides with strong association with organic carbon, has important implications for the long-term immobilization of radioactive waste in grout systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Crack-Free Silicon Monoxide as Anodes for Lithium-Ion Batteries

The volume expansion of Si and SiO particles was investigated using a single-particle battery assembled with a focused ion beam and scanning electron microscopy (FIB-SEM) system. Single Si and SiO particles were galvanostatically charged and discharged as in real batteries. Microstructural changes of the particles were monitored in situ using FIB-SEM from two different angles. The results revealed that the volume expansion of micrometer size particle SiO was not only much smaller than that of Si, but it also kept its original shape with no sign of cracks. Additionally, this isotropic mechanical property of a SiO particle can be attributed to its microstructure: nanosized Si domains mixed with SiO 2 domains. The nanosized Si domains can mitigate the anisotropic swelling caused by the orientation-dependent lithium-ion insertion; the surrounding SiO 2 domains can act as a buffer to further constrain the localized anisotropic swelling.

25 ENERGY STORAGE↗