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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

Doping-Induced Interband Gain in InAs/AlSb Quantum Wells

A paper describes a computational study of effects of doping in a quantum well (QW) comprising a 10-nm-thick layer of InAs sandwiched between two 21-nm-thick AlSb layers. Heretofore, InAs/AlSb QWs have not been useful as interband gain devices because they have type-II energy-band-edge alignment, which causes spatial separation of electrons and holes, thereby leading to weak interband dipole matrix elements. In the doping schemes studied, an interior sublayer of each AlSb layer was doped at various total areal densities up to 5 X 10(exp 12) / square cm. It was found that (1) proper doping converts the InAs layer from a barrier to a well for holes, thereby converting the heterostructure from type II to type I; (2) the resultant dipole matrix elements and interband gains are comparable to those of typical type-I heterostructures; and (3) dipole moments and optical gain increase with the doping level. Optical gains in the transverse magnetic mode can be almost ten times those of other semiconductor material systems in devices used to generate medium-wavelength infrared (MWIR) radiation. Hence, doped InAs/AlSb QWs could be the basis of an alternative material system for devices to generate MWIR radiation.

Kolokolov, K. I.↗

Dielectric Energy Storage Materials for Space Sensors: Effect of Processing on the Performance

This paper explores the development of innovative materials for the dielectric energy storage for space components. The CaCuN 3 Ti 4 O 12 or CCTO belonging to perovskite family is of interest due to its colossal dielectric constant. It was demonstrated that materials synthesized at low temperature show nonequilibrium state and exhibit differences in the dielectric and resistivity values. The goal is to obtain high dielectric constant along with high resistivity values for achieving enhanced breakdown voltage. By using other members of the perovskite structures, it was demonstrated that similar colossal dielectric constant is observed and is dependent on processing methods. We have used heterovalent and dissimilar sized atom to replace Ca +2 ion. Accordingly, we replaced Ca +2 ion with heavy Ga +3 ion and developed gallium-based material system, Ga 2/3 Cu 3 Ti 4 O 12 . Following successful synthesis, we measured its dielectric constant and resistivity and compared with CCTO material system. Results of five sets of samples showed that lower temperature processing demonstrated mechanism of grain growth, but due to copper flow in high temperature processed samples dielectric constant and resistivity values were different.

Dielectric Energy↗

The Evaluation of Composite Energy Absorbers for Use in UAM EVTOL Vehicle Impact Attenuation

The demand for new personal air-taxi services is leading to the development of lightweight Vertical Take-off and Landing (eVTOL) vehicles with electric propulsion for the Urban Air Mobility (UAM) industry. Manufacturers (OEMs) are considering many different designs to develop a vehicle that is able to take-off, cruise, and land autonomously with seating arrangements ranging between 2 and 15 passengers. It is unclear at present how the eventual market will mature; however, one of the common design characteristics noted by many of the OEMs is the use of advanced materials such as composites. A test and analysis program was initiated at NASA Langley Research Center (LaRC) in 2018 to evaluate the impact attenuation capabilities of various composite material systems with the goal of eventual implementation into an eVTOL vehicle. A series of 3-inch diameter by 6-inch length tubular specimens were fabricated from different material systems which included both traditional carbon and hybrid woven layers of fibers. Additionally, a subset of specimens were filled with closed-cell polyisocyanurate foam to help both with stabilization and crush response. The ultimate goal of the test program was to design a specimen capable of limiting the sustained crush acceleration to 20 g through a stable crush progression. After a series of material tests, these specimens were evaluated under both static and dynamic conditions for impact energy attenuation characteristics and crush stability. Additionally, a series of simulation models were developed in parallel to the test efforts. It is anticipated that the models developed using the component level test efforts can be used to help guide the development of a design for use in full-scale eVTOL vehicle applications.

Littell, Justin↗

Statistical Models of Fracture Relevant to Nuclear-Grade Graphite: Review and Recommendations

The nuclear-grade (low-impurity) graphite needed for the fuel element and moderator material for next-generation (Gen IV) reactors displays large scatter in strength and a nonlinear stress-strain response from damage accumulation. This response can be characterized as quasi-brittle. In this expanded review, relevant statistical failure models for various brittle and quasi-brittle material systems are discussed with regard to strength distribution, size effect, multiaxial strength, and damage accumulation. This includes descriptions of the Weibull, Batdorf, and Burchell models as well as models that describe the strength response of composite materials, which involves distributed damage. Results from lattice simulations are included for a physics-based description of material breakdown. Consideration is given to the predicted transition between brittle and quasi-brittle damage behavior versus the density of damage (level of disorder) within the material system. The literature indicates that weakest-link-based failure modeling approaches appear to be reasonably robust in that they can be applied to materials that display distributed damage, provided that the level of disorder in the material is not too large. The Weibull distribution is argued to be the most appropriate statistical distribution to model the stochastic-strength response of graphite.

Nemeth, Noel N.↗

Accurate noncovalent interactions in atomistic systems via quantum Drude oscillators

Accurately modeling polarization and van der Waals (vdW) interactions in atomistic systems typically requires high-level quantum-mechanical methods that are computationally expensive, hence limited in applicability. To address this challenge, efficient yet physically grounded models are needed—ones that not only enable accurate predictions but also provide insight into how noncovalent interactions scale in complex molecular and material systems. This review highlights the quantum Drude oscillator (QDO) model, a physically motivated and computationally efficient framework that captures the essential features of electronic response, including polarization and dispersion forces, across a wide range of chemical and material systems. We discuss how the QDO model quantitatively reproduces the polarization response of many-electron atoms and how key components of noncovalent interactions—exchange-repulsion, polarization, and dispersion—emerge naturally in QDO dimers. Furthermore, the model provides predictive scaling laws that elucidate trends in polarizability and dispersion across the periodic table and in molecular assemblies. By uniting interpretability, accuracy, and efficiency, the QDO model offers a versatile approach for modeling noncovalent interactions in systems ranging from isolated molecules to complex condensed phases and nanostructured materials.

Khabibrakhmanov, Almaz [Univ. of Luxembourg, Luxem↗

Advanced liquid rockets

A program to substitute iridium coated rhenium for silicide coated niobium in thrust chamber fabrications is reviewed. The life limiting phenomena in each of these material systems is also reviewed. Coating cracking and spalling is not a problem with iridium-coated rhenium as in silicide-coated niobium. Use of the new material system enables an 800 K increase in thruster operating temperature from around 1700 K for niobium to 2500 K for rhenium. Specific impulse iridium-coated rhenium rockets is nominally 20 seconds higher than comparable niobium rockets in the 22 N class and nominally 10 seconds higher in the 440 N class.

Schneider, Steven J.↗

An investigation of enhanced capability thermal barrier coating systems for diesel engine components

Material systems and processes for the development of effective and durable thermal barriers for heavy duty diesel engines were investigated. Seven coating systems were evaluated for thermal conductivity, erosion resistance, corrosion/oxidation resistance, and thermal shock resistance. An advanced coating system based on plasma sprayed particle yttria stabilized zirconia (PS/HYSZ) was judged superior in these tests. The measured thermal conductivity of the selected coating was 0.893 W/m C at 371 C. The PS/HYSZ coating system was applied to the piston crown, fire deck and valves of a single cylinder low heat rejection diesel engine. The coated engine components were tested for 24 hr at power levels from 0.83 MPa to 1.17 MPa brake mean effective pressure. The component coatings survived the engine tests with a minimum of distress. The measured fire deck temperatures decreased 86 C (155 F) on the intake side and 42 C (75 F) on the exhaust side with the coating applied.

Holtzman, R. L.↗

Revisiting of Multiscale Static Analysis of Notched Laminates Using the Generalized Method of Cells

Composite material systems generally exhibit a range of behavior on different length scales (from constituent level to macro); therefore, a multiscale framework is beneficial for the design and engineering of these material systems. The complex nature of the observed composite failure during experiments suggests the need for a three-dimensional (3D) multiscale model to attain a reliable prediction. However, the size of a multiscale three-dimensional finite element model can become prohibitively large and computationally costly. Two-dimensional (2D) models are preferred due to computational efficiency, especially if many different configurations have to be analyzed for an in-depth damage tolerance and durability design study. In this study, various 2D and 3D multiscale analyses will be employed to conduct a detailed investigation into the tensile failure of a given multidirectional, notched carbon fiber reinforced polymer laminate. Threedimensional finite element analysis is typically considered more accurate than a 2D finite element model, as compared with experiments. Nevertheless, in the absence of adequate mesh refinement, large differences may be observed between a 2D and 3D analysis, especially for a shear-dominated layup. This observed difference has not been widely addressed in previous literature and is the main focus of this paper.

Materials Engineering↗

The Functor system: a new on-the-fly take on Material Properties based on C++ functions

In the context of solving multiphysics problems, the discretization of the partial differential equations (PDE) at hand often takes the spotlight. However, for most engineering users and even application developers, the discretization of the equations has already been performed. Instead, they are tasked with implementing specific closure relations and material properties. MOOSE has long enabled this using the Materials system. This system relied on the pre-computation of all properties before they are used in the PDE or in postprocessing. In this talk we will introduce the Functor system, which was deployed in MOOSE in 2021, then present a few applications of functors in flow modeling simulations by the NEAMS program. Functors first offer great flexibility in their evaluation. Rather than storing various arrays for material properties, they are evaluated on the fly at the location and state, e.g. current or old value, requested. Unlike regular material properties, several operations such as the time derivative, the divergence and the curl can be requested from a functor. Similar to material properties, functors can be made to depend on arbitrary combinations of variables, functions, postprocessors and other properties. However, unlike material properties, any of these can be substituted for a functor material property. Thanks to this, objects no longer need to be duplicated based on the types of their parameters.

97 - MATHEMATICS AND COMPUTING↗

External Tank Program - Legacy of Success

The largest single element of Space Shuttle is the External Tank (ET), which serves as the structural backbone of the vehicle during ascent and provides liquid propellants to the Orbiter s three Main Engines. The ET absorbs most of the seven million pounds of thrust exerted by the Solid Rocket Boosters and Main Engines. The design evolved through several block changes, reducing weight each time. Because the tank flies to orbital velocity with the Space Shuttle Orbiter, minimization of weight is mandatory, to maximize payload performance. The initial configuration, the standard weight tank, weighed 76,000 pounds and was an aluminum 2219 structure. The light weight tank weighed 66,000 pounds and flew 86 missions. The super light weight tank weighed 58,500 pounds and was primarily an aluminum-lithium structure. The final configuration and low weight enabled system level performance sufficient for assembly of the International Space Station in a high inclination orbit, vital for international cooperation. Another significant challenge was the minimization of ice formation on the cryogenic tanks. This was essential due to the system configuration and the choice of ceramic thermal protection system materials on the Orbiter. Ice would have been a major debris hazard. Spray on foam insulation materials served multiple functions including thermal insulation, conditioning of cryogenic propellants, and thermal protection for the tank structure during ascent and entry. The tank is large, and unique manufacturing facilities, tooling, and handling, and transportation operations were developed. Weld processes and tooling evolved with the design as it matured through several block changes. Non Destructive Evaluation methods were used to assure integrity of welds and thermal protection system materials. The aluminum-lithium alloy was used near the end of the program and weld processes and weld repair techniques had to be refined. Development and implementation of friction stir welding was a substantial technology development incorporated during the Program. Automated thermal protection system application processes were developed for the majority of the tank surface. Material obsolescence was an issue throughout the multi-decade program. Process controls were implemented to assure cleanliness in the production environment, to control contaminants, and to preclude corrosion. Each tank was accepted via rigorous inspections, including non-destructive evaluation techniques, proof testing, and all systems testing. In the post STS-107 era, the project focused on ascent debris risk reduction. This was accomplished via stringent process controls, post flight assessment using substantially improved imagery, and selective redesigns. These efforts were supported with a number of test programs to simulate combined environments. The debris risk was reduced by two orders of magnitude. During this time a major natural disaster was overcome when hurricane Katrina damaged the manufacturing facility. Numerous lessons from these efforts, the manufacturing and material processing issues, the key design features, and evolution of the design will be discussed.

Pilet, Jeffery C.↗

Fabrication and Characterization of SMA Hybrid Composites

Results from an effort to fabrication shape memory alloy hybrid composite (SMAHC) test specimens and characterize the material system are presented in this study. The SMAHC specimens are conventional composite structures with an embedded SMA constituent. The fabrication and characterization work was undertaken to better understand the mechanics of the material system, address fabrication issues cited in the literature, and provide specimens for experimental validation of a recently developed thermomechanical model for SMAHC structures. Processes and hardware developed for fabrication of the SMAHC specimens are described. Fabrication of a SMA14C laminate with quasi-isotropic lamination and ribbon-type Nitinol actuators embedded in the 0' layers is presented. Beam specimens are machined from the laminate and are the focus of recent work, but the processes and hardware are readily extensible to more practical structures. Results of thermomechanical property testing on the composite matrix and Nitinol ribbon are presented. Test results from the Nitinol include stress-strain behavior, modulus versus temperature. and constrained recovery stress versus temperature and thermal cycle. Complex thermomechanical behaviors of the Nitinol and composite matrix are demonstrated, which have significant implications for modeling of SMAHC structures.

Turner, Travis L.↗

Origins of interstellar and solar system: Carbonaceous materials

Carbon is a crucial atom in cosmochemistry. It is well-established that carbon is synthesized in stellar interiors after the main sequence, is ejected by red giants as small carbonaceous grains during their 'carbon star' phase, resides in the interstellar medium, and was later incorporated into the solar system. The mechanisms of carbon grain formation and later chemical processing are complex because, with only small thermodynamic differences, carbon can take on a bewildering variety of forms: diamond; oxides; carbides; graphite; aliphatic hydrocarbons; polycyclic aromatic hydrocarbons (PAH's); fullerenes; amorphous carbon; and other compounds. These are evidence for many of the forms of carbon found in astronomical observations. We seek to understand the possible astrophysical sites and conditions of the origins of different forms of carbon by combining state-of-the-art capabilities of carbon chemistry with astrophysical modeling. The work is a collaboration between Prof. Frenklach, a leading carbon materials scientist with both laboratory and computer modeling expertise and Prof. Feigelson, an astrophysicist with interests in star formation. The largest effort under this grant was devoted to developing this concept into a comprehensive quantitative model. In addition to explaining the astronomical properties of red giants producing carbonaceous grains, our model also can incorporate recent meteoritic findings. Finally, our induced nucleation grain formation model provides a natural explanation for the widespread presence of PAH emission bands in the Galactic interstellar medium. A brief synopsis of other activities sponsored under this grant and a list of publications from this grant is included.

Feigelson, Eric D.↗

Ligand-induced self-assembly of twisted two-dimensional halide perovskites

Two-dimensional (2D) halide perovskites (HPs) exhibit intriguing optoelectronic functionalities. Conventionally, 2D HPs have been synthesized with linear and planar molecular spacers, resulting in nominal modifications of their optoelectronic properties. In contrast, lower-dimensional HPs (0D and 1D) have proved accommodating to the incorporation of bulky molecular spacers. Fundamental insights into the incorporation of bulky molecular spacers in 2D HP structures remains elusive. Here, in this study, by implementing a high-throughput autonomous exploration workflow, the crystallization behaviours of 2D HPs based on a bulky 3,3-diphenylpropylammonium (DPA) spacer are comprehensively explored. Counterintuitive to conventional HP chemistry, synthesis of 2D DPA 2 PbI 4 HPs is indeed feasible when the steric hindrance is mediated by minute incorporation of 3D HP precursors. Furthermore, a moiré superlattice is observed from the DPA 2 PbI 4 flakes, indicating the spontaneous formation of twisted stacks of 2D HPs.We hypothesize that the unconventional van der Waals surface of DPA 2 PbI 4 facilitates the self-assembly of the twisted stacks of 2D HPs. This work exemplifies how high-throughput experimentation can discover unconventional material systems in which the synthetic principle lies beyond conventional chemical intuition. Furthermore, these findings provide hints for how to chemically manipulate the twist stacking in 2D HPs, thus rendering a straightforward way for bespoke realization of functionalities in exotic materials systems via a bottom-up approach.

materials chemistry↗

The effects of long-duration space exposure on the mechanical properties of some carbon-reinforced resin matrix composites

Long Duration Exposure Facility (LDEF) Experiment A0175 involved the non-instrumented exposure of seven carbon-fiber reinforced resin-matrix advanced composite panels contained in two trays - A7 and A1. These two trays were located, respectively, on the leading and trailing faces of LDEF, obliquely oriented to the RAM (Row 9) and WAKE (Row 3) directions. The identity and location of the seven panels, which consisted of six flat laminates of the following material systems are shown: carbon/epoxy (T300/934), carbon/bismaleimide (T300/F178), and carbon/polyimide (C6000/LARC-160 and C6000/PMR-15), plus one bonded honeycomb sandwich panel (T300/934 face sheets and Nomex core) patterned after the Space Shuttle payload bay door construction. These material systems were selected to represent a range of then-available matrix resins which, by virtue of their differing polymer chemistry, could conceivably exhibit differing susceptibility to the low-earth orbit (LEO) environment. The principal exposure conditions of the LDEF environment at these tray locations are shown. Noteworthy to some of the observations discussed is the four-orders-of magnitude difference in the atomic oxygen (AO) fluence, which made a shallow incidence angle (approximately 22 deg) to Tray A7, while Tray A1 on the trailing face was essentially shielded from AO exposure. This evaluation focused on determining the individual and relative suitability of a variety of resin-matrix composite systems for long-term space structural applications. This was accomplished primarily by measuring and comparing a range of engineering mechanical properties on over 300 test coupons sectioned from the flight panels and from identical control panels, and tested at ambient and elevated temperatures. This testing was supported by limited physical characterization, involving visual examination of flight panel surface features, measurements of weight loss and warpage, and examination for changes in internal integrity (micro cracking, delamination) by ultrasonic c-scan and polished cross-sections.

Vyhnal, Richard F.↗

Parametric Study of Three-Stringer-Panel Compression-After-Impact Strength

Damage tolerance requirements for integrally-stiffened composite wing skins are typically met using design allowables generated by testing impact-damaged subcomponents, such as three-stringer stiffened panels. To improve these structures, it is necessary to evaluate the critical design parameters associated with three-stringer stiffened-panel compressive behavior. During recent research and development programs, four structural parameters were identified as sources for strength variation: (a) material system, (b) stringer configuration, (c) skin layup, and (d) form of axial reinforcement (tape versus pultruded carbon rods). Relative effects of these parameters on damage resistance and damage tolerance were evaluated numerically and experimentally. Material system and geometric configuration had the largest influence on damage resistance; location and extent of the damage zone influenced the sublaminate buckling behavior, failure initiation site, and compressive ultimate strength. A practical global-local modeling technique captured observed experimental behavior and has the potential to identify critical damage sites and estimate failure loads prior to testing. More careful consideration should be given to accurate simulation of boundary conditions in numerical and experimental studies.

Rousseau, Carl Q.↗

Harnessing Quantum Computing for Energy Materials: Opportunities and Challenges

Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials development, but they face scaling and time-complexity limitations, particularly for high-dimensional or strongly correlated material systems. Quantum computing (QC) promises to offer a paradigm shift by exploiting quantum bits with their superposition and entanglement to address challenging problems intractable for classical approaches. This Perspective discusses the opportunities in leveraging QC to advance energy materials research and the challenges QC faces in solving complex and high-dimensional problems. We present cases on how QC, when combined with classical computing methods, can be used for the design and simulation of practical energy materials. We also outline the outlook for error-corrected, fault-tolerant QC capable of achieving predictive accuracy and quantum advantage for complex material systems.

Algorithms↗

Recyclable Materials for Resource Constrained Environments

In-space manufacturing exhibits severe limitations in resources as astronauts are only afforded with the materials that are brought on-board the space craft. Consequently, the use of recyclable and re-usable materials is paramount. Researchers at NLR leverage their expertise in polymer and recycling chemistry to develop material systems capable of high performance applications with intentional consideration on multi-life use through chemical recycling, mechanical recycling, bio-degradation, and thermoforming. Disclosed within this poster presentation are highlighted projects that illustrate several recyclable by design material systems that have been developed.

09 BIOMASS FUELS↗