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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
NASA NTRS1995

CARES/LIFE Software Commercialization

The NASA Lewis Research Center has entered into a letter agreement with BIOSYM Technologies Inc. (now merged with Molecular Simulations Inc. (MSI)). Under this agreement, NASA will provide a developmental copy of the CARES/LIFE computer program to BIOSYM for evaluation. This computer code predicts the time-dependent reliability of a thermomechanically loaded component. BIOSYM will become familiar with CARES/LIFE, provide results of computations useful in validating the code, evaluate it for potential commercialization, and submit suggestions for improvements or extensions to the code or its documentation. If BIOSYM/Molecular Simulations reaches a favorable evaluation of CARES/LIFE, NASA will enter into negotiations for a cooperative agreement with BIOSYM/Molecular Simulations to further develop the code--adding features such as a user-friendly interface and other improvements. This agreement would give BIOSYM intellectual property rights in the modified codes, which they could protect and then commercialize. NASA would provide BIOSYM with the NASA-developed source codes and would agree to cooperate with BIOSYM in further developing the code. In return, NASA would receive certain use rights in the modified CARES/LIFE program. Presently BIOSYM Technologies Inc. has been involved with integration issues concerning its merger with Molecular Simulations Inc., since both companies used to compete in the computational chemistry market, and to some degree, in the materials market. Consequently, evaluation of the CARES/LIFE software is on hold for a month or two while the merger is finalized. Their interest in CARES continues, however, and they expect to get back to the evaluation by early November 1995.

Source record↗
NASA NTRS2004

Experimentation Toward the Analysis of Gear Noise Sources Controlled by Sliding Friction and Surface Roughness

In helicopters and other rotorcraft, the gearbox is a major source of noise and vibration (N&V). The two N&V excitation mechanisms are the relative displacements between mating gears (transmission errors) and the friction associated with sliding between gear teeth. Historically, transmission errors have been minimized via improved manufacturing accuracies and tooth modifications. Yet, at high torque loads, noise levels are still relatively high though transmission errors might be somewhat minimal. This suggests that sliding friction is indeed a dominant noise source for high power density rotorcraft gearboxes. In reality, friction source mechanism is associated with surface roughness, lubrication regime properties, time-varying friction forces/torques and gear-mesh interface dynamics. Currently, the nature of these mechanisms is not well understood, while there is a definite need for analytical tools that incorporate sliding resistance and surface roughness, and predict their effects on the vibro- acoustic behavior of gears. Toward this end, an experiment was conducted to collect sound and vibration data on the NASA Glenn Gear-Noise Rig. Three iterations of the experiment were accomplished: Iteration 1 tested a baseline set of gears to establish a benchmark. Iteration 2 used a gear-set with low surface asperities to reduce the sliding friction excitation. Iteration 3 incorporated low viscosity oil with the baseline set of gears to examine the effect of lubrication. The results from this experiment will contribute to a two year project in collaboration with the Ohio State University to develop the necessary mathematical and computer models for analyzing geared systems and explain key physical phenomena seen in experiments. Given the importance of sliding friction in the gear dynamic and vibro-acoustic behavior of rotorcraft gearboxes, there is considerable potential for research & developmental activities. Better models and understanding will lead to quiet and reliable gear designs, as well as the selection of optimal manufacturing processes.

Asnani, Vivake M.↗
NASA NTRS1990

Ulysses Launch

Ulysses is a joint mission between the United States National Aeronautics and Space Administration (NASA) and the European Space Agency (ESA) to explore the heliosphere over the full range of solar latitudes, especially in the polar regions. The goal of the Ulysses mission is to provide an accurate assessment of our total solar environment. This collaborative ESA/NASA mission will, for the first time, explore the heliosphere -- the region of space that is dominated by the Sun-- within a few astronomical units of the Sun over the full range of heliographic latitudes. The path followed by the spacecraft, using a Jupiter gravity-assist to achieve a trajectory extending to high solar latitudes, will enable the highly sophisticated scientific instruments on board to make measurements in the uncharted third dimension of the heliosphere. The Ulysses spacecraft will carry nine scientific instruments to measure the properties of the solar corona, the solar wind, the Sun/wind interface, the heliospheric magnetic field, solar radio bursts, plasma waves, solar X-rays, solar and galactic cosmic rays, and the interplanetary/interstellar neutral gas and dust. Scientists will take advantage of the enormous distance between the spacecraft and the Earth to perform astrophysical measurements and to search for gravitational waves. In conjunction with instrumentation on Earth-orbiting spacecraft, Ulysses will help to precisely locate the mysterious sources of cosmic gamma bursts. The results obtained will help to solve outstanding problems in solar and heliospheric physics, while undoubtedly revealing new and unanticipated phenomena.

Source record↗
NASA NTRS2008

Performance of High Temperature Operational Amplifier, Type LM2904WH, under Extreme Temperatures

Operation of electronic parts and circuits under extreme temperatures is anticipated in NASA space exploration missions as well as terrestrial applications. Exposure of electronics to extreme temperatures and wide-range thermal swings greatly affects their performance via induced changes in the semiconductor material properties, packaging and interconnects, or due to incompatibility issues between interfaces that result from thermal expansion/contraction mismatch. Electronics that are designed to withstand operation and perform efficiently in extreme temperatures would mitigate risks for failure due to thermal stresses and, therefore, improve system reliability. In addition, they contribute to reducing system size and weight, simplifying its design, and reducing development cost through the elimination of otherwise required thermal control elements for proper ambient operation. A large DC voltage gain (100 dB) operational amplifier with a maximum junction temperature of 150 C was recently introduced by STMicroelectronics [1]. This LM2904WH chip comes in a plastic package and is designed specifically for automotive and industrial control systems. It operates from a single power supply over a wide range of voltages, and it consists of two independent, high gain, internally frequency compensated operational amplifiers. Table I shows some of the device manufacturer s specifications.

Patterson, Richard↗
DOE OSTI2015

Thickness and microstructure effects in the optical and electrical properties of silver thin films

The optical and electrical response of metal thin films approaching thicknesses in the range of the electron mean free path is highly affected by electronic scattering with the interfaces and defects. Here, we present a theoretical and experimental study on how thickness and microstructure affect the properties of Ag thin films. We are able to successfully model the electrical resistivity and IR optical response using a thickness dependent electronic scattering time. Remarkably, the product of electronic scattering time and resistivity remains constant regardless of the thickness (τx ρ = C), with a value of 59 ± 2 μΩ cm ⋅ fs for Ag films in the investigated range from 3 to 74 nm. Our findings enable us to develop a theoretically framework that allows calculating the optical response of metal thin films in the IR by using their measured thickness and resistivity. An excellent agreement is found between experimental measurements and predicted values. This study also shows the theoretical lower limit for emissivity in Ag thin films according to their microstructure and thickness. Application of the model presented here will allow rapid characterization of the IR optical response of metal thin films, with important application in a broad spectrum of fundamental and industrial applications, including optical coatings, low-emissivity windows and semiconductor industry.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Insight of BaCe 0.5 Fe 0.5 O 3– δ twin perovskite oxide composite for solid oxide electrochemical cells

One-pot synthesized twin perovskite oxide composite of BaCe 0.5 Fe 0.5 O 3–δ (BCF), comprising cubic and orthorhombic perovskite phases, shows triple-conducting properties for promising solid oxide electrochemical cells. Phase composition evolution of BCF under various conditions was systematically investigated, revealing that the cubic perovskite phase could be fully/partially reduced into the orthorhombic phase under certain conditions. The reduction happened between the two phases at the interface, leading to the microstructure change. As a result, the corresponding apparent conducting properties also changed due to the difference between predominant conduction properties for each phase. Based on the revealed phase composition, microstructure, and electrochemical properties changes, a deep understanding of BCF's application in different conditions (oxidizing atmospheres, reducing/oxidizing gradients, cathodic conditions, and anodic conditions) was achieved. Triple-conducting property (H + /O 2– /e – ), fast open-circuit voltage response (~16–~470 mV) for gradients change, and improved single-cell performance (~31% lower polarization resistance at 600°C) were comprehensively demonstrated. Besides, the performance was analyzed under anodic conditions, which showed that the microstructure and phase change significantly affected the anodic behavior.

08 HYDROGEN↗
NASA NTRS1988

The crack problem in bonded nonhomogeneous materials

The plane elasticity problem for two bonded half planes containing a crack perpendicular to the interface was considered. The effect of very steep variations in the material properties near the diffusion plane on the singular behavior of the stresses and stress intensity factors were studied. The two materials were thus, assumed to have the shear moduli mu(o) and mu(o) exp (Beta x), x=0 being the diffusion plane. Of particular interest was the examination of the nature of stress singularity near a crack tip terminating at the interface where the shear modulus has a discontinuous derivative. The results show that, unlike the crack problem in piecewise homogeneous materials for which the singularity is of the form r/alpha, 0 less than alpha less than 1, in this problem the stresses have a standard square-root singularity regardless of the location of the crack tip. The nonhomogeneity constant Beta has, however, considerable influence on the stress intensity factors.

Erdogan, Fazil↗
NASA NTRS1991

The crack problem in bonded nonhomogeneous materials

The plane elasticity problem for two bonded half planes containing a crack perpendicular to the interface was considered. The effect of very steep variations in the material properties near the diffusion plane on the singular behavior of the stresses and stress intensity factors were studied. The two materials were thus, assumed to have the shear moduli mu(o) and mu(o) exp (Beta x), x=0 being the diffusion plane. Of particular interest was the examination of the nature of stress singularity near a crack tip termination at the interface where the shear modulus has a discontinuous derivative. The results show that, unlike the crack problem in piecewise homogeneous materials for which the singularity is of the form r/alpha, 0 less than alpha less than 1, in this problem the stresses have a standard square-root singularity regardless of the location of the crack tip. The nonhomogeneity constant Beta has, however, considerable influence on the stress intensity factors.

Erdogan, F.↗
DOE OSTI2023

Neural Network Enhanced RKPM for Electrochemical-Mechanical Coupled Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant charge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. For Li-ion batteries, for example, lithium moving between electrodes during charging and discharging process causes expansion and contraction of grains, and the strongly anisotropic and nonlinearly [Li]-dependent grain material properties can cause grains to expand into and contract away from each other, leading to chemo-mechanical cracking. In the first part of this work, a RKPM based computational framework for solving the coupled solid-phase lithium conservation with Fickian diffusion and the lithium concentration dependent anisotropic mechanical problem subjected to a highly nonlinear Butler-Volmer boundary condition is introduced. The choice of RKPM completeness conditions for lithium concentration and mechanical deformation fields, and the variational consistency condition for the domain integration of the coupled problem is first determined. In the second part of this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material, by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that is necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure.

damage modeling↗
DOE OSTI2025

Revealing the Origin and Nature of the Buried Metal‐Substrate Interface Layer in Ta/Sapphire Superconducting Films

Abstract Despite constituting a smaller fraction of the qubit's electromagnetic mode, surfaces and interfaces can exert significant influence as sources of high‐loss tangents, which brings forward the need to reveal properties of these extended defects and identify routes to their control. Here, we examine the structure and composition of the metal‐substrate interfacial layer that exists in Ta/sapphire‐based superconducting films. Synchrotron‐based X‐ray reflectivity measurements of Ta films, commonly used in these qubits, reveal an unexplored interface layer at the metal‐substrate interface. Scanning transmission electron microscopy and core‐level electron energy loss spectroscopy identified an intermixing layer (≈0.65 ± 0.05 nm) at the metal‐substrate interface containing Al, O, and Ta atoms. Density functional theory modeling reveals that the structure and properties of the Ta/sapphire heterojunctions are determined by the oxygen content on the sapphire surface prior to Ta deposition for two atomic terminations of sapphire. Using a multimodal approach, we gained deeper insights into the interface layer between the metal and substrate, which suggests that the orientation of deposited Ta films depend on the surface termination of sapphire. The observed elemental intermixing at the metal‐substrate interface influences the thermodynamic stability and electronic behavior of the film, which may also affect qubit performance.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Final Report: Energetics of Radiation Tolerant Nanoceramics

The report describes in details the achievements of the project addressing the performance of nanomaterials in radioactive environments. The project addresses the fundamentals of the role of interface features on the defect dynamics during irradiation and present models to predict behavior based on thermodynamic properties. Papers and products, including formation of students in this strategic area, are presented in details as well.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Polyolefin blends with co-continuous architectures enabled by dynamic covalent crosslinking

Blending polymers produces brittle materials due to macrophase separation and poor interfacial adhesion, which is exemplified by mixtures of polyolefins. This presents a formidable challenge for the mechanical recycling of mixed plastic waste. Here, we demonstrate that dynamic covalent crosslinking of immiscible polyolefin blends creates macrophase separated co-continuous architectures, yet they display excellent mechanical properties, which challenges the conventional wisdom regarding morphology-property relationships in polymer blend compatibilization. We find that the position and orientation of dynamic crosslinks and their influence on crystallinity are key to understanding the structure-morphology-property relationships. In particular, high-resolution microscopy imaging reveals alignment of crystallite planes with strong orientational preference, particularly at polymer-polymer interfaces, which contribute to material performance. We further demonstrate that changes in crosslinker density and valency allow the properties of binary and ternary polyolefin blends to be tuned in a modular fashion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Effect of Passivating Shells on the Chemistry and Electrode Properties of LiMn 2 O 4 Nanocrystal Heterostructures

Building a stable chemical environment at the cathode/electrolyte interface is directly linked to the durability of Li-ion batteries with high energy density. Recently, colloidal chemistry methods have enabled the design of core–shell nanocrystals of Li 1+x Mn 2–x O 4 , an important battery cathode, with passivating shells rich in Al 3+ through a colloidal synthetic route. These heterostructures combine the presence of redox-inactive ions on the surface to minimize undesired reactions, with the coverage of each individual particle in an epitaxial manner. Although they improve electrode performance, the exact chemistry and structure of the shell as well as the precise effect of the ratio between the shell and the active core remain to be elucidated. Correlation of these parameters to electrode properties would serve to tailor the heterostructure design toward complete shutdown of undesired reactions. These knowledge gaps are the target here. Li 1+x Mn 2–x O 4 nanocrystals with Al 3+ -rich shells of different thicknesses were synthesized. Multimodal characterization comprehensively revealed the elemental distribution, electronic state, and crystallinity in the heterostructures, which confirmed the potential of this approach to finely tune passivating layers. All of the modified nanocrystals improved the capacity retention while retaining charge storage compared to the bare counterpart, even under harsh conditions.

25 ENERGY STORAGE↗
DOE OSTI2019

Surface Mechanical Properties of Bio-Inspired Architectures (Final Report)

The majority of the work in this field, including most of our own early work, has been focused on one-sided materials. More recently, we have focused on two-sided systems, mimicking attachment systems in organisms that use shape complementarity to endow interfaces with highly enhanced and selective adhesion and friction. We discovered the spontaneous appearance of meso-scale dislocations at interfaces between shape-complementary patterned surfaces and studied how their geometry and materials properties govern macroscopic adhesion and friction. Our second major thrust was to study the influence of surface properties, specifically the surface stress, in mechanical phenomenon involving soft materials. We showed that solid surface stress often plays a very significant and pervasive role and this requires a re-thinking of several canonical surface mechanical phenomena such as adhesive contact, wetting, fracture and surface-stress-driven shape change.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Optical response of columnar TiO{sub 2}:Co on Si substrate

Vertically arranged columnar TiO{sub 2}:Co structure has been deposited on Si (100) substrate using the metal organic chemical vapor deposition (MOCVD) technique. SEM images confirm the columnar structure of the TiO{sub 2}:Co layer on Si (100). Concentration of the Co dopant has been defined by means of the energy dispersive x-ray (EDX) spectra. Co concentrations are varied at 0.18, 0.33, and 0.68 at. % using pure TiO{sub 2} as the reference. X-ray diffraction (XRD) spectra show that the TiO{sub 2}:Co layer have a rutile phase. Further analysis of this structure has been performed by using room temperature spectroscopic ellipsometry (SE) measurements in the energy range of 0.5 - 6.5 eV. This optical response shows the unique feature of significantly high density fringe especially below the band gap energy region (lower than 3.3 eV) in contrast to the conventional TiO{sub 2} thin film structure. This unique feature is interpreted as a dominant contribution of the vertical interfaces at columnar boundaries towards reflected light from the sample. The evolution of Ψ and Δ will be discussed as the function of Co concentration and some optical properties will be extracted after reasonably well data fitting by multilayer modelling. Furthermore, by comparing the SE data from different measurement orientations, it has been shown that TiO{sub 2}:Co tends to be anisotropic. This study enables us to further evaluate structural properties through optical responses given by SE measurement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Phase field simulation of martensitic transformation in pre-strained nanocomposite shape memory alloys

We show in this paper how strain engineering alters the fundamental characteristic of a martensitic transformation (MT) and gives it a new set of properties including large quasi-linear elastic strain response with nearly vanishing hysteresis and low elastic modulus. The work is motivated and inspired by a recent experimental study on elastic and inelastic (transformation) strain matching in a pre-strained nano-composite with Nb nanowires embedded in a NiTi shape memory alloy matrix. In particular, we demonstrate by computer simulation that dislocations at Nb/NiTi interfaces produced by the pre-straining are responsible for the unprecedented properties. Microstructural evolution captured in the simulations reveals that local stress fields associated with the dislocations regulate the nucleation and growth of martensite, turning the otherwise sharp, strong first-order transition into a continuous, high-order like transition. The simulations predict that the stress-strain hysteresis and modulus of the composite decrease with increasing amount of pre-strain, which agrees well with the experimental measurement. This study suggests a design strategy by introducing non-uniform stress fields for enhanced properties of shape memory alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Thermal conductance of interfaces between titanium nitride and group IV semiconductors at high temperatures

Measuring the temperature dependence of material properties is a standard method for better understanding the microscopic origins for that property. Surprisingly, only a few experimental studies of thermal boundary conductance at high temperatures exist. This lack of high temperature data makes it difficult to evaluate competing theories for how inelastic processes contribute to thermal conductance. To address this, we report time domain thermoreflectance measurements of the thermal boundary conductance for TiN on diamond, silicon-carbide, silicon, and germanium between 120 and 1000 K. In all systems, the interface conductance increases monotonically without stagnating at higher temperatures. For TiN/SiC interfaces, G ranges from 330 to 1000 MW/m2-K, with a room temperature conductance of 750 MW/m2-K. The interface conductance for TiN/diamond ranges from 140 to 950 MW/m2-K. Notably, for all four interfacial systems, the conductance continues to increase with temperature even after all phonon modes in the vibrationally soft material are thermally excited. This observation suggests that inelastic processes are significant contributors to the thermal conductance in all four interfacial systems, regardless of whether the materials forming the interface are vibrationally similar or dissimilar. Our study fills a notable gap in the literature for how interfacial conductance evolves at high temperatures and tests burgeoning theories for the role of inelastic processes in interfacial thermal transport.

Physics↗
DOE OSTI2020

Water-Dependent Blending of Pectin Films: The Mechanics of Conjoined Biopolymers

Biodegradable pectin polymers have been recommended for a variety of biomedical applications, ranging from the delivery of oral drugs to the repair of injured visceral organs. A promising approach to regulate pectin biostability is the blending of pectin films. To investigate the development of conjoined films, we examined the physical properties of high-methoxyl pectin polymer-polymer (homopolymer) interactions at the adhesive interface. Pectin polymers were tested in glass phase (10–13% w/w water content) and gel phase (38–41% w/w water content). The tensile strength of polymer-polymer adhesion was measured after variable development time and compressive force. Regardless of pretest parameters, the adhesive strength of two glass phase films was negligible. In contrast, adhesion testing of two gel phase films resulted in significant tensile adhesion strength (p < 0.01). Adhesion was also observed between glass phase and gel phase films—likely reflecting the diffusion of water from the gel phase to the glass phase films. In studies of the interaction between two gel phase films, the polymer-polymer adhesive strength increased linearly with increasing compressive force (range 10–80 N) (R 2 = 0.956). In contrast, adhesive strength increased logarithmically with time (range 10–10,000 s) (R 2 = 0.913); most of the adhesive strength was observed within minutes of contact. Fracture mechanics demonstrated that the adhesion of two gel phase films resulted in a conjoined film with distinctive physical properties including increased extensibility, decreased stiffness and a 30% increase in the work of cohesion relative to native polymers (p < 0.01). Scanning electron microscopy of the conjoined films demonstrated cross-grain adhesion at the interface between the adhesive homopolymers. These structural and functional data suggest that blended pectin films have emergent physical properties resulting from the cross-grain intermingling of interfacial pectin chains.

62 RADIOLOGY AND NUCLEAR MEDICINE↗