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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Benefits of Higher-Temperature Operation in Boosted SI Engines Enabled by Advanced Materials

To meet the demand for greater fuel efficiency in passenger vehicles, various strategies are employed to increase the power density of light-duty SI engines, with attendant thermal or system efficiency increases. One approach is to incorporate higher-performance alloys for critical engine components. These alloys can have advantageous thermal or mechanical properties at higher temperatures, allowing for components constructed from these materials to meet more severe pressure and temperature demands, while maintaining durability. Advanced alloys could reduce the need for charge enrichment to protect certain gas-path components at high speed and load conditions, permit more selective cooling to reduce heat-transfer losses, and allow engine downsizing, while maintaining performance, by achieving higher cylinder temperatures and pressures. As a first step in investigating downsizing strategies made possible through high-performance alloys, a GT-Power model of a 4-cylinder 1.6L turbocharged direct-injection SI engine was developed. The model was tuned and validated against experimental dynamometer data collected from a corresponding engine. The model was then used to investigate various operating strategies for increasing power density. Results from these investigations will provide valuable insight into how new materials might be utilized to meet the needs of future light-duty engines and will serve as the basis for a more comprehensive investigation using more-detailed thermo-mechanical modeling.

Mills, Zachary↗
DOE OSTI2023

A Platform for Atomic Fabrication and In Situ Synthesis in a Scanning Transmission Electron Microscope

Here, the engineering of quantum materials requires the development of tools able to address various synthesis and characterization challenges. These include the establishment and refinement of growth methods, material manipulation, and defect engineering. Atomic-scale modification will be a key enabling factor for engineering quantum materials where desired phenomena are critically determined by atomic structures. Successful use of scanning transmission electron microscopes (STEMs) for atomic scale material manipulation has opened the door for a transformed view of what can be accomplished using electron-beam-based strategies. However, serious obstacles exist on the pathway from possibility to practical reality. One such obstacle is the in situ delivery of atomized material in the STEM to the region of interest for further fabrication processes. Here, progress on this front is presented with a view toward performing synthesis (deposition and growth) processes in a scanning transmission electron microscope in combination with top-down control over the reaction region. An in situ thermal deposition platform is presented, tested, and deposition and growth processes are demonstrated. In particular, it is shown that isolated Sn atoms can be evaporated from a filament and caught on the nearby sample, demonstrating atomized material delivery. This platform is envisioned to facilitate real-time atomic resolution imaging of growth processes and open new pathways toward atomic fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Bulk combinatorial synthesis and high throughput characterization for rapid assessment of magnetic materials: Application of laser engineered net shaping (LENS)

A bulk combinatorial approach for synthesizing alloy libraries using laser engineered net shaping (LENS; i.e., 3D printing) was utilized to rapidly assess material systems for magnetic applications. The LENS system feeds powders in different ratios into a melt pool created by a laser to synthesize samples with bulk (millimeters) dimensions. By analyzing these libraries with autosampler differential scanning calorimeter/thermal gravimetric analysis and vibrating sample magnetometry, we are able to rapidly characterize the thermodynamic and magnetic properties of the libraries. Furthermore, the Fe-Co binary alloy was used as a model system and the results were compared with data in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Airtight metallic sealing at room temperature under small mechanical pressure

Metallic seals can be resistant to air leakage, resistant to degradation under heat, and capable of carrying mechanical loads. Various technologies – such as organic solar cells and organic light emitting diodes – need, at least benefit from, such metallic seals. However, these technologies involve polymeric materials and can tolerate neither the high-temperature nor the high-pressure processes of conventional metallic sealing. Recent progress in nanorod growth opens the door to metallic sealing for these technologies. Here, we report a process of metallic sealing using small well-separated Ag nanorods; the process is at room temperature, under a small mechanical pressure of 9.0 MPa, and also in ambient. The metallic seals have an air leak rate of 1.1 3 1023 cm3 atm/m2 /day, and a mechanical shear strength higher than 8.9 MPa. This leak rate meets the requirements of organic solar cells and organic light emitting diodes.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Coupled Multi-Disciplinary Optimization for Structural Reliability and Affordability

A computational simulation method is presented for Non-Deterministic Multidisciplinary Optimization of engine composite materials and structures. A hypothetical engine duct made with ceramic matrix composites (CMC) is evaluated probabilistically in the presence of combined thermo-mechanical loading. The structure is tailored by quantifying the uncertainties in all relevant design variables such as fabrication, material, and loading parameters. The probabilistic sensitivities are used to select critical design variables for optimization. In this paper, two approaches for non-deterministic optimization are presented. The non-deterministic minimization of combined failure stress criterion is carried out by: (1) performing probabilistic evaluation first and then optimization and (2) performing optimization first and then probabilistic evaluation. The first approach shows that the optimization feasible region can be bounded by a set of prescribed probability limits and that the optimization follows the cumulative distribution function between those limits. The second approach shows that the optimization feasible region is bounded by 0.50 and 0.999 probabilities.

Abumeri, Galib H.↗
DOE OSTI2011

Methods for the In-Situ Characterization of Cast Austenitic Stainless Steel Microstructures

Cast austenitic stainless steel (CASS) that was commonly used in U.S. nuclear power plants is a coarse-grained, elastically anisotropic material. Its engineering properties made it a material of choice for selected designs of nuclear power reactor systems. However, the fabrication processes result in a variety of coarse-grain microstructures that make current ultrasonic in-service inspection of components quite challenging. To address inspection needs, new ultrasonic inspection approaches are being sought. However, overcoming the deleterious and variable effects of the microstructure on the interrogating ultrasonic beam may require knowledge of the microstructure, for potential optimization of inspection parameters to enhance the probability of detection (POD). The ability to classify microstructure type (e.g. polycrystalline or columnar) has the potential to guide selection of optimal NDE approaches. This paper discusses the application of ultrasonic and electromagnetic methods for classifying CASS microstructures, when making measurements from the outside surface of the component. Results to date demonstrate the potential of these measurements to discriminate between two consistent microstructures - equiaxed-grain material versus columnar-grain material. The potential for fusion of ultrasonic and electromagnetic measurements for in-situ microstructure characterization in CASS materials will be explored.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Biocomposite thermoplastic polyurethanes containing evolved bacterial spores as living fillers to facilitate polymer disintegration

The field of hybrid engineered living materials seeks to pair living organisms with synthetic materials to generate biocomposite materials with augmented function since living systems can provide highly-programmable and complex behavior. Engineered living materials have typically been fabricated using techniques in benign aqueous environments, limiting their application. In this work, biocomposite fabrication is demonstrated in which spores from polymer-degrading bacteria are incorporated into a thermoplastic polyurethane using high-temperature melt extrusion. Bacteria are engineered using adaptive laboratory evolution to improve their heat tolerance to ensure nearly complete cell survivability during manufacturing at 135 °C. Furthermore, the overall tensile properties of spore-filled thermoplastic polyurethanes are substantially improved, resulting in a significant improvement in toughness. The biocomposites facilitate disintegration in compost in the absence of a microbe-rich environment. Finally, embedded spores demonstrate a rationally programmed function, expressing green fluorescent protein. This research provides a scalable method to fabricate advanced biocomposite materials in industrially-compatible processes.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Diopside (CaO-MgO-2SiO2)-fluorapatite (9CaO-3P2O5-CaF2) glass-ceramics: Potential materials for bone tissue engineering

Glass-ceramics in the diopside (CaMgSi2O6) - fluorapatite [Ca5(PO4)3F] system are potential candidates for restorative dental and bone implant materials. In the present study, a series of glasses along diopside - fluorapatite binary system have been prepared with varying diopside/fluorapatite ratios for their potential applications in bone tissue engineering. The glasses were obtained from compositions with fluorapatite contents varying between 0-40 wt.%. The sintering ability and crystallization kinetics of as obtained amorphous glasses have been studied through hot-stage microscopy (HSM) and differential thermal analysis (DTA), respectively while crystalline phase evolution in sintered GCs has been followed by X-ray diffraction (XRD) adjoined with Rietveld-R.I.R. technique and scanning electron microscopy (SEM). Further, biodegradation and apatite forming ability of glass-ceramics were investigated by immersion of glass-ceramic discs in simulated body fluid (SBF) solution while chemical degradation and weight loss of glass-ceramics were studied by immersion in Tris-HCl in accordance with standard ISO 10993-14. The addition of fluorapatite (10-25 wt.%) in diopside glass system significantly enhanced the sintering ability of glass-ceramics and improved their apatite forming ability along with their biodegradation behaviour. Moreover, the in vitro cellular responses to glass-ceramics showed good cell viability and significant stimulation of osteoblastic differentiation, suggesting the possible use of the glass-ceramics for bone regeneration.

58 GEOSCIENCES↗
DOE OSTI2018

Formation of helium-bubble networks in tungsten

The nucleation and subsequent growth of helium bubbles in bulk tungsten is investigated using molecular dynamics simulations. By considering a setting that includes the diffusion process of helium clusters, we study their attachment to existing bubbles and their interaction with tungsten crowdion structures generated in the bubble growth process. Here, we find that incoming helium atoms, and especially small helium clusters, can become trapped in the crowdion structures, providing nucleation sites for new helium bubbles, and leading to a distributed network of bubbles rather than a single, growing bubble. The nature of this network depends on both the temperature and the implantation flux of helium. Our results indicate that the kinetic interaction of He with generated dislocations is a key factor dictating the evolution of bubble distributions in plasma-exposed tungsten.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Microstructure-Sensitive Uncertainty Quantification for Crystal Plasticity Finite Element Constitutive Models Using Stochastic Collocation Methods

Uncertainty quantification (UQ) plays a major role in verification and validation for computational engineering models and simulations, and establishes trust in the predictive capability of computational models. In the materials science and engineering context, where the process-structure-property-performance linkage is well known to be the only road mapping from manufacturing to engineering performance, numerous integrated computational materials engineering (ICME) models have been developed across a wide spectrum of length-scales and time-scales to relieve the burden of resource-intensive experiments. Within the structure-property linkage, crystal plasticity finite element method (CPFEM) models have been widely used since they are one of a few ICME toolboxes that allows numerical predictions, providing the bridge from microstructure to materials properties and performances. Several constitutive models have been proposed in the last few decades to capture the mechanics and plasticity behavior of materials. While some UQ studies have been performed, the robustness and uncertainty of these constitutive models have not been rigorously established. In this work, we apply a stochastic collocation (SC) method, which is mathematically rigorous and has been widely used in the field of UQ, to quantify the uncertainty of three most commonly used constitutive models in CPFEM, namely phenomenological models (with and without twinning), and dislocation-density-based constitutive models, for three different types of crystal structures, namely face-centered cubic (fcc) copper (Cu), body-centered cubic (bcc) tungsten (W), and hexagonal close packing (hcp) magnesium (Mg). Our numerical results not only quantify the uncertainty of these constitutive models in stress-strain curve, but also analyze the global sensitivity of the underlying constitutive parameters with respect to the initial yield behavior, which may be helpful for robust constitutive model calibration works in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A Scalable Reduced‐Order Model for the Steady Navier–Stokes Equations

Scaling up new scientific technologies from laboratory to industry often involves demonstrating performance on a larger scale. Computer simulations can accelerate design and predictions in the deployment process, though traditional numerical methods are computationally intractable even for intermediate pilot plant scales. Recently, the component reduced order modeling method has been developed to tackle this challenge by combining projection reduced order modeling and discontinuous Galerkin domain decomposition. However, while many scientific or engineering applications involve nonlinear physics, this method has only been demonstrated for various linear systems. In this work, the component reduced order modeling method is extended to steady Navier–Stokes flow, with application to general nonlinear physics in view. The large‐scale, global domain is decomposed into a combination of small‐scale unit component. Linear subspaces for flow velocity and pressure are identified via proper orthogonal decomposition over sample snapshots collected from each small‐scale unit component. Velocity bases are augmented with a pressure supremizer to satisfy the inf–sup condition for stable pressure prediction. Two different nonlinear reduced order modeling methods are employed and compared for efficient evaluation of nonlinear advection: A third‐order tensor projection operator and the empirical quadrature procedure. The proposed method is demonstrated on the flow over arrays of five different unit objects, achieving a 23‐fold speedup with less than 4% relative error in domains up to 256 times larger than the unit components. Furthermore, a numerical experiment with the pressure supremizer strongly indicates the need for a supremizer for stable pressure prediction. A comparison between the tensorial approach and the empirical quadrature procedure revealed a slight advantage of the empirical quadrature procedure. The framework is compared with an alternating Schwarz‐based reduced‐order approach, demonstrating improved efficiency and robustness for the DG‐based global solver while retaining flexibility for sub‐scale iterative solvers. The method is further extended to a coupled advection–diffusion and Navier–Stokes system, illustrating its applicability to multi‐physics problems and its potential for more general, inter‐coupled nonlinear systems.

42 ENGINEERING↗
DOE OSTI2019

Isotope Effect in Bilayer WSe 2

Isotopes of an element have the same electron number but differ in neutron number and atomic mass. However, due to the thickness-dependent properties in MX 2 (M = Mo, W; X = S, Se, Te) transition metal dichalcogenides (TMDs), the isotopic effect in atomically thin TMDs still remains unclear especially for phonon-assisted indirect excitonic transitions. Here, we report the first observation of the isotope effect on the electronic and vibrational properties of a TMD material, using naturally abundant NA W NA Se 2 and isotopically pure 186 W 80 Se 2 bilayer single crystals over a temperature range of 4.4–300 K. We demonstrate a higher optical band gap energy in 186 W 80 Se 2 than in NA W NA Se 2 (3.9 ± 0.7 meV from 4.41 to 300 K), which is surprising as isotopes are neutral impurities. Phonon energies decrease in the isotopically pure crystal due to the atomic mass dependence of harmonic oscillations, with correspondingly longer E 2g and A 2 1g phonon lifetimes than in the naturally abundant sample. Finally, the change in electronic band gap renormalization energy is postulated as being the dominant mechanism responsible for the change in optical emission spectra.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Simulating stochastic and additively manufactured foams at large strains and high strain rates

Understanding the mechanical response of polymer foams is essential in developing system material models and in designing replacements for legacy pads and cushions. Simulations can help elucidate structure-property relationships and compare local stress distributions to understand aging behavior and improve designs. In many applications, these materials experience significant loadings and computations need the capability to reproduce those conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Lattice Reinforced Cermet Materials

This project developed ceramic-metal (cermet) composite materials reinforced with embedded metal lattices. The goal of the project was to develop materials that have a higher tensile and compressive strength as well as greater fracture toughness than conventional boron carbide-aluminum cermets. These materials have applications in structural applications as well as advanced vehicle and personnel armors.

36 MATERIALS SCIENCE↗