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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Microcracking mechanisms and interface toughening of semi-IPN polyimide matrix composites

A new research program was initiated as a preliminary phase. The following three objectives are being pursued for the overall program: to elucidate the mechanisms of microcracking for graphite fiber-reinforced semi-IPN polyimide matrix composites under mechanical and thermal cyclic loading; to devise material engineering solutions for possible improvement of fatigue damage resistance (or the increase of fatigue endurance strength) of semi-IPN matrix composites by tailoring of modulus and toughness of fiber-resin interface region; and to assess processing characteristics of the composites and their roles in controlling the resistance of composites to microcracking and the effectiveness of interface toughening. The main emphasis was placed upon the initial screening of material systems and optimization of processing conditions for semi-IPN matrix composites with tailored interface. As a first set of control material systems to study, the composites were prepared with unsized Celion 6000 graphite fiber reinforcement and the following resin matrices of varied fracture toughness: PMR-15 thermoset polyimide, semi-IPN of PNR-15 thermoset polyimide and NR150B2 thermoplastic polyimide in 75/25 ratio, and semi-IPN of PMR-15 and NR150B2 in 50/50 ratio. For the composites with the resin matrix of semi-IPN in 75/25 ratio, interface tailoring was attempted by using graphite fibers coated with the resins of systematically varied fracture toughness. In the continuing work, a broad range of interlayer toughness will be achieved by coating the fibers with reactants of semi-IPN having lower or higher content of thermoplastic constituent in comparison with the composition of surrounding resin matrix. In pursuing the objectives of the overall research program, the respective roles and interaction of critical parameters were defined.

Lee, Byung L.↗
DOE OSTI2025

Interface magnetism in vanadium-doped MoS 2 /graphene heterostructures

Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic properties of heterostructures composed of graphene and MoS 2 considering the influence of point defects and vanadium doping. It is found that the concentration of the dopants and the types of defects can result in induced magnetic moments leading to ferromagnetically polarized systems with sharp interfaces. This provides a framework for interpreting the experimental observations of enhanced ferromagnetism in both MoS 2 /graphene and V-doped MoS 2 /graphene heterostructures. The computed electronic and spin polarizations give a microscopic understanding of the origin of ferromagnetism in these systems and illustrate how doping and defect engineering can lead to targeted property tunability. Our work has demonstrated that through defects engineering, ferromagnetism can be achieved in V-doped MoS2/graphene heterostructures, providing a potential way to induce magnetization in other TMDC/graphene materials and opening new opportunities for their applications in nano-spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Understanding how defects and dopant atoms in copper surface oxides affect reactivity

Copper and its oxides are key catalytic materials, on which reactions often occur at the metal/oxide interface. Here, in this work, we directly connect the induction period observed during methanol-driven reduction of thin-film copper oxides to their atomic-scale structural order. Using temperature-programmed desorption (TPD) methanol titrations combined with scanning tunneling microscopy, we show that highly ordered oxide phases – particularly the “29” structure with its low defect density – exhibit long induction periods and initially low reactivity. The induction period, defined as the number of methanol TPD cycles required to reach half of the maximum formaldehyde yield, scales with oxide order and oxygen coverage. Enhanced reactivity of well-ordered oxides emerges only after repeated methanol adsorption/desorption cycles generate oxygen vacancies and new Cu(111)/Cu x O interfacial sites. In contrast, disordered or sub-stoichiometric oxides, which contain more intrinsic defects and interfaces, are active from the first TPD cycle. We further examine how dilute Pt and Rh dopants influence oxide order and reactivity: 1% Pt increases defect density and catalytic activity, while 1% Rh promotes oxide ordering and longer induction periods. These findings demonstrate that dilute alloying provides a potential method for tuning the structure and reactivity of Cu(111)/Cu x O interfaces.

Cu(111)Methanol oxidation↗
DOE OSTI2025

Impact of Grafting Density on the Assembly and Mechanical Properties of Self-Assembled Metal–Organic Framework Monolayers

Polymer-grafted metal–organic frameworks (MOFs) can be used to form free-standing self-assembled MOF monolayers (SAMMs). Polymer chains can be introduced onto MOF surfaces through either the ligands or metal nodes using both grafting-to and grafting-from approaches. However, controlling the grafting density of polymer-grafted MOFs has not yet been achieved, because a means to control the density of grafting sites on the MOF surface has not been developed. In this study, the grafting density of polymer-grafted UiO-66 (UiO = University of Oslo) was controlled by functionalizing a portion of the Zr(IV) secondary building units (SBUs) on a UiO-66 surface with a so-called blocking agent. The remaining sites on the UiO-66 SBUs were functionalized with polymerization initiation groups, and polymers were grown from these sites to obtain particles with variable grafting densities and chain lengths that form SAMMs at an air–water interface. Even under conditions of low grafting density, these materials retain the ability to form SAMMs and their free-standing ability. Changes in particle arrangement within the monolayers were investigated using SEM imaging, and the toughness of the monolayers was evaluated using a film-on-water (FOW) method. Furthermore, coarse-grained molecular dynamics simulations were carried out to elucidate the morphology and mechanical properties of the monolayers. Findings from both experiments and simulations indicate that the toughness of SAMMs is more heavily influenced by the chain length of the grafted polymers than by the overall polymer content in the composite.

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

Synthesis and Properties of Poly(vinyl chloride)- b -polyethylene Multiblock Copolymers through the Hydrodechlorination of PVC with Silylium Ions

Polymer compatibilizers stabilize the interface between two immiscible polymers to allow for a material that improves properties for additional use. Chlorinated polyethylene (CPE) is a common compatibilizer, yet there does not exist a synthetic pathway either from monomers or via the functionalization of polyethylene (PE) to yield a polymer that has a controlled chlorine amount and primary structure along the polymer chain. Herein, we report a series of novel block copolymers of poly(vinyl chloride) (PVC) and PE, synthesized through selective hydrodechlorination of PVC. Contrary to CPE, the full range of chlorination can be obtained and the block number can be altered. Interfacial adhesion studies reveal samples with competitive compatibilization of PVC/polyolefin elastomer blends (POE). In conclusion, this method shows that post-polymerization modification can be a strategic top-down synthesis to achieve high performance polymers.

Wood, Zachary A. [Univ. of Southern California, Lo↗
DOE OSTI2024

Properties of photocurrent and metal contacts of highly resistive ultrawide bandgap semiconductors

Ultrawide bandgap (UWBG) semiconductors inherently exhibit very high electrical resistivities. This property presents not only challenges in probing their electrical transport properties but also difficulties to fabricate, understand, and characterize the electrical properties of metal contacts on these materials. Here, we report the measurements and analysis of the applied electric field dependence of photocurrent to reveal the effect of metal contacts on the transport properties of highly resistive h-BN. Our results indicate that even for h-BN with a room temperature resistivity as high as 1014 Ω cm, the as-deposited metal contact is not a completely blocking type as commonly assumed in previous analyses for other large bandgap insulating materials. By modifying the boundary condition between the metal/semiconductor interface, a quantitative description has been obtained, which can be used to determine if the metal contact is Ohmic or blocking type. This quantitative description should be applicable to all UWBG semiconductors with extremely high electrical resistivities. The work also provides a better understanding of how the metal contact type affects the transport properties of UWBG semiconductors in general.

Physics↗
DOE OSTI2024

Mnemosyne

SAND2024-08570O Mnemosyne is an interactive tool for finding, retrieving, and exploring information about U.S. nuclear tests documented in the National Nuclear Security Administration’s NV-209 report. It also acts as an information architecture and codebase for integrating additional information and computational tools related to these tests at the unclassified and classified levels. Users can search by any number of nuclear test attributes—name, yield range, altitude ranges, purpose of a test—and find all matching tests. Users can also retrieve specific test information published in NV-209. The tool displays geospatial and topological data about test location, and it provides an information architecture for storing additional contextual material, such as photographs. Mnemosyne provides a capability of interfacing with HYCHEM, Sandia's nuclear detonation optical waveform tool. The software is designed for use by government, academia, military, and research institutions. The software will likely be advanced to integrate seismic data and the nuclear detonation optical signal simulation code radCTH. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Fisher, Dustin↗
NASA NTRS1974

A high power TWT power processing system

A power processing system (PPS) is designed for a space-type high power (200W RF) multi-collector traveling-wave tube (TWT). The basic power circuit is presented along with the simplified block diagram and the input, output, and general requirements for the PPS design are tabulated. The paper covers the PPS design as to critical TWT/PPS interface requirements, high voltage cathode/collector supply, high voltage components material, packaging, grounding and isolation, and electrical performance. The use of a single two loop control system for the regulation of cathode and collector voltages is shown to give high efficiency, excellent steady-state and transient performance characteristics, and complete protection for TWT and PPS components under transient conditions.

Farber, B. F.↗
NASA NTRS1975

Space transportation

User-oriented panels were formed to examine practical applications of information or services derived from earth orbiting satellites. Topics discussed include: weather and climate; uses of communication; land use planning; agriculture, forest, and range; inland water resources; retractable resources; environmental quality; marine and maritime uses; and materials processing in space. Emphasis was placed on the interface of the space transportation system (STS) with the applications envisioned by the user panels. User requirements were compared with expected STS capabilities in terms of availability, carrying payload to orbit, and estimated costs per launch. Conclusions and recommendations were reported.

Source record↗
NASA NTRS1990

Reduction of thermal stresses in continuous fiber reinforced metal matrix composites with interface layers

The potential of using an interface layer to reduce thermal stresses in the matrix of composites with a mismatch in coefficients of thermal expansion of fiber and matrix was investigated. It was found that compliant layers, with properties of readily available materials, do not have the potential to reduce thermal stresses significantly. However, interface layers with high coefficient of thermal expansion can compensate for the mismatch and reduce thermal stresses in the matrix significantly.

Jansson, S.↗
NASA NTRS1991

Status of GaAs/Ge solar cells

With experience at increasing production levels, GaAs/Ge cells are proving their effectiveness for some demanding missions. The experience in producing inactive-Ge structures should benefit parallel work on forming monolithic cascade cells using AlGaAs or GaAs top cell layers grown on Ge or other bottom cell materials. The adjustments needed to ensure that the GaAs/Ge interface is inactive are more likely to preserve the properties of a separately optimized bottom cell.

Iles, P. A.↗
NASA NTRS1994

Simulation studies for surfaces and materials strength

Computer simulation studies were conducted to investigate materials properties. All the calculations were carried out using atomic level simulation techniques which are based on semiempirical or model functions. During this project, functions with varying degrees of complexity were derived and employed in simulations. Investigations include covalently bonded materials as well as systems involving metal atoms. For small clusters calculated results provided information on various energy- and structure-related properties along with vibrational characteristics. Also, energy barriers for configurational transitions were calculated for selected cases. Simulation calculations for surfaces produced new results in areas related to surface energies, reconstructions and relaxations, surface defects, surface stresses as well as adsorption and nucleation processes. Simulations were also performed on bulk materials. Calculated results provided an atomic level understanding on energetics and structures of point defects, crystal stability, elastic properties, and materials strength for various systems. Calculations involving polymeric materials include studies of polar polymer melts and polymer/solid interfaces. Simulations employing specially developed codes provided significant information about energetics and conformational characteristics of different polymeric chains.

Halicioglu, Timur↗
NASA NTRS1999

Advanced Microscopic Integrated Thermocouple Arrays

The purpose of this research is to develop and refine a technique for making microscopic thermocouple arrays for use in measuring the temperature gradient across a solid-liquid interface during the solidification process. Current thermocouple technology does not allow for real-time measurements across the interface due to the prohibitive size of available thermocouples. Microscopic thermocouple arrays will offer a much greater accuracy and resolution of temperature measurements across the solid-liquid interface which will lead to a better characterization of the solidification process and interface reaction which affect the properties of the resulting material.

Pettigrew, Penny J.↗
NASA NTRS2003

High-Temperature RF Probe Station For Device Characterization Through 500 deg C and 50 GHz

A high-temperature measurement system capable of performing on-wafer microwave testing of semiconductor devices has been developed. This high temperature probe station can characterize active and passive devices and circuits at temperatures ranging from room temperature to above 500 C. The heating system uses a ceramic heater mounted on an insulating block of NASA shuttle tile material. The temperature is adjusted by a graphical computer interface and is controlled by the software-based feedback loop. The system is used with a Hewlett-Packard 8510C Network Analyzer to measure scattering parameters over a frequency range of 1 to 50 GHz. The microwave probes, cables, and inspection microscope are all shielded to protect from heat damage. The high temperature probe station has been successfully used to characterize gold transmission lines on silicon carbide at temperatures up to 540 C.

Schwartz, Zachary D.↗
NASA NTRS2016

A Flexible Method for Producing F.E.M. Analysis of Bone Using Open-Source Software

This project, performed in support of the NASA GRC Space Academy summer program, sought to develop an open-source workflow methodology that segmented medical image data, created a 3D model from the segmented data, and prepared the model for finite-element analysis. In an initial step, a technological survey evaluated the performance of various existing open-source software that claim to perform these tasks. However, the survey concluded that no single software exhibited the wide array of functionality required for the potential NASA application in the area of bone, muscle and bio fluidic studies. As a result, development of a series of Python scripts provided the bridging mechanism to address the shortcomings of the available open source tools. The implementation of the VTK library provided the most quick and effective means of segmenting regions of interest from the medical images; it allowed for the export of a 3D model by using the marching cubes algorithm to build a surface mesh. To facilitate the development of the model domain from this extracted information required a surface mesh to be processed in the open-source software packages Blender and Gmsh. The Preview program of the FEBio suite proved to be sufficient for volume filling the model with an unstructured mesh and preparing boundaries specifications for finite element analysis. To fully allow FEM modeling, an in house developed Python script allowed assignment of material properties on an element by element basis by performing a weighted interpolation of voxel intensity of the parent medical image correlated to published information of image intensity to material properties, such as ash density. A graphical user interface combined the Python scripts and other software into a user friendly interface. The work using Python scripts provides a potential alternative to expensive commercial software and inadequate, limited open-source freeware programs for the creation of 3D computational models. More work will be needed to validate this approach in creating finite-element models.

gravitational physiology↗
DOE OSTI2026

All‐Solid‐State Batteries With Mechanically Stable Interfaces Consisting of a Zero‐Strain Cation‐Disordered Rocksalt Cathode

Interface stabilization is critical to the development of working all‐solid‐state batteries. Rigid cathode/solid electrolyte interfaces often disintegrate due to anisotropic volume change of cathode‐active materials, resulting in irreversible capacity loss. Herein, we demonstrate that Li 1.211 Mo 0.467 Cr 0.3 O 2 (LMCO), a pioneering cation‐disordered rocksalt oxide (DRX) cathode that has intrinsically small volume change upon lithium intercalation, can be integrated with a thiophosphate‐based solid electrolyte for all‐solid‐state batteries. Interface stability of the all‐solid LMCO cell was investigated by electrochemical impedance spectroscopy, X‐ray micro‐computed tomography, and electron microscopy. Since LMCO was initially synthesized as a layered phase exhibiting a large volume change, interface disintegration can be observable in the early cycles. As layered LMCO phase‐transformed into DRX LMCO in subsequent cycles, reintegration of the interfaces occurs within a pressurized cell as a result of its zero‐stain behavior. Consequently, the DRX LMCO cathode maintains interface integrity, and thus electrical wiring, over an extended number of cycles, leading to improved capacity retention with small internal cell resistance.

DRX↗
NASA NTRS1992

Reduction of thermal stresses in continuous fiber reinforced metal matrix composites with interface layers

The potential of using interface layer to reduce thermal stresses in the matrix of composites with a mismatch in coefficients of thermal expansion of fiber and matrix has been investigated. It was found that compliant layers, with properties of readily available materials, do not have the potential to reduce thermal stresses significantly. However, interface layers with high coefficient of thermal expansion can compensate for the mismatch and reduce thermal stresses in the matrix significantly.

Jansson, S.↗
NASA NTRS1998

An Investigation of Reliability Models for Ceramic Matrix Composites and their Implementation into Finite Element Codes

The development of modeling approaches for the failure analysis of ceramic-based material systems used in high temperature environments was the primary objective of this research effort. These materials have the potential to support many key engineering technologies related to the design of aeropropulsion systems. Monolithic ceramics exhibit a number of useful properties such as retention of strength at high temperatures, chemical inertness, and low density. However, the use of monolithic ceramics has been limited by their inherent brittleness and a large variation in strength. This behavior has motivated material scientists to reinforce the monolithic material with a ceramic fiber. The addition of a second ceramic phase with an optimized interface increases toughness and marginally increases strength. The primary purpose of the fiber is to arrest crack growth, not to increase strength. The material systems of interest in this research effort were laminated ceramic matrix composites, as well as two- and three- dimensional fabric reinforced ceramic composites. These emerging composite systems can compete with metals in many demanding applications. However, the ongoing metamorphosis of ceramic composite material systems, and the lack of standardized design data has in the past tended to minimize research efforts related to structural analysis. Many structural components fabricated from ceramic matrix composites (CMC) have been designed by "trial and error." The justification for this approach lies in the fact that during the initial developmental phases for a material system fabrication issues are paramount. Emphasis is placed on demonstrating feasibility rather than fully understanding the processes controlling mechanical behavior. This is understandable during periods of rapid improvements in material properties for any composite system. But to avoid the ad hoc approach, the analytical methods developed under this effort can be used to develop rational structural design protocols.

Duffy, Stephen F.↗