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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Fully compressible simulations of waves and core convection in main-sequence stars

Context: Recent, nonlinear simulations of wave generation and propagation in full-star models have been carried out in the anelastic approximation using spectral methods. Although it makes long time steps possible, this approach excludes the physics of sound waves completely and requires rather high artificial viscosity and thermal diffusivity for numerical stability. A direct comparison with observations is thus limited. Aims: In this study, we explore the capabilities of our compressible multidimensional Seven-League Hydro (SLH) code to simulate stellar oscillations. Methods: We compare some fundamental properties of internal gravity and pressure waves in 2D SLH simulations to linear wave theory using two test cases: (1) an interval gravity wave packet in the Boussinesq limit and (2) a realistic 3 M ⊙ stellar model with a convective core and a radiative envelope. Oscillation properties of the stellar model are also discussed in the context of observations. Results: Our tests show that specialized low-Mach techniques are necessary when simulating oscillations in stellar interiors. Basic properties of internal gravity and pressure waves in our simulations are in good agreement with linear wave theory. As compared to anelastic simulations of the same stellar model, we can follow internal gravity waves of much lower frequencies. The temporal frequency spectra of velocity and temperature are flat and compatible with the observed spectra of massive stars. Conclusion: The low-Mach compressible approach to hydrodynamical simulations of stellar oscillations is promising. Our simulations are less dissipative and require less luminosity boosting than comparable spectral simulations. The fully-compressible approach allows for the coupling of gravity and pressure waves in the outer convective envelopes of evolved stars to be studied in the future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Experimental Evaluation of Geopolymer, Nano-Modified, and Neat Class H Cement by Using Diametrically Compressive Tests

Abstract Cement is the prime barrier material to maintain zonal isolation during wellbore life-cycle. Different types of the cement have different performances on sealability. The primary objective of this study is evaluation of three types of cement systems, neat Class H, nano-synthetic graphite, and rock-based geopolymer cements, on interfacial bond integrity. Diametrical compressive tests are used on casing–cement–formation systems. Cement performances are tested in a conventional configuration (Berea Sandstone). A universal testing system is utilized to analyze the relationship applied load–axial strain and the digital image correlation (DIC) technique is used to generate the strain field maps. Based on the relationship and DIC results, bond strengths in different cement systems are evaluated. Additionally, microscope images provide insight explanations of the bond from micro-view. Based on the experimental results, failures of all cases initiate and propagate from the casing–cement interface. Then, radial cracks develop through the formation. This is because the mechanical interlocking bonds are formed only at the cement–sandstone interface to enhance the bond strength. The comparison of geopolymer and nano-modified cements with the conventional cement (neat Class H) shows that the unconventional cements have a lower maximum load and higher axial strain before failure of the samples. It indicates that both the two kinds of cements are more ductile than conventional cement and can support more deformation before the initiation of cracks.

Energy & Fuels↗
DOE OSTI2021

Characterization of Polyhydroxybutyrate-Based Composites Prepared by Injection Molding

The waste generated by single-use plastics is often non-recyclable and non-biodegradable, inevitably ending up in our landfills, ecosystems, and food chain. Through the introduction of biodegradable polymers as substitutes for common plastics, we can decrease our impact on the planet. In this study, we evaluate the changes in mechanical and thermal properties of polyhydroxybutyrate-based composites with various additives: Microspheres, carbon fibers or polyethylene glycol (2000, 10,000, and 20,000 MW). The mixtures were injection molded using an in-house mold attached to a commercial extruder. The resulting samples were characterized using microscopy and a series of spectroscopic, thermal, and mechanical techniques. We have shown that the addition of carbon fibers and microspheres had minimal impact on thermal stability, whereas polyethylene glycol showed slight improvements at higher molecular weights. All of the composite samples showed a decrease in hardness and compressibility. The findings described in this study will improve our understanding of polyhydroxybutyrate-based composites prepared by injection molding, enabling advancements in integrating biodegradable plastics into everyday products.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Aero-Optics of Hypersonic Turbulent Boundary Layers

Aero-optics refers to optical distortions due to index-of-refraction gradients that are induced by aerodynamic density gradients. At hypersonic flow conditions, the bulk velocity is many times the speed of sound and density gradients may originate from shock waves, compressible turbulent structures, acoustic waves, thermal variations, etc. Due to the combination of these factors, aero-optic distortions are expected to differ from those common to sub-sonic and lower super-sonic speeds. This report summarizes the results from a 2019-2022 Laboratory Directed Research and Development (LDRD) project led by Sandia National Laboratories in collaboration with the University of Notre Dame, New Mexico State University, and the Georgia Institute of Technology. Efforts extended experimental and simulation methodologies for the study of turbulent hypersonic boundary layers. Notable experimental advancements include development of spectral de-aliasing techniques for highspeed wavefront measurements, a Spatially Selective Wavefront Sensor (SSWFS) technique, new experimental data at Mach 8 and 14, a Quadrature Fringe Imaging Interferometer (QFII) technique for time-resolved index-of-refraction measures, and application of QFII to shock-heated air. At the same time, model advancements include aero-optic analysis of several Direct Numerical Simulation (DNS) datasets from Mach 0.5 to 14 and development of wall-modeled Large Eddy Simulation (LES) techniques for aero-optic predictions. At Mach 8 measured and predicted root mean square Optical Path Differences agree within confidence bounds but are higher than semi-empirical trends extrapolated from lower Mach conditions. Overall, results show that aero-optic effects in the hypersonic flow regime are not simple extensions from prior knowledge at lower speeds and instead reflect the added complexity of compressible hypersonic flow physics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Theoretical and Experimental Advances in High-Pressure Behaviors of Nanoparticles

Using compressive mechanical forces, such as pressure, to induce crystallographic phase transitions and mesostructural changes while modulating material properties in nanoparticles (NPs) is a unique way to discover new phase behaviors, create novel nanostructures, and study emerging properties that are difficult to achieve under conventional conditions. In recent decades, NPs of a plethora of chemical compositions, sizes, shapes, surface ligands, and self-assembled mesostructures have been studied under pressure by in-situ scattering and/or spectroscopy techniques. As a result, the fundamental knowledge of pressure–structure–property relationships has been significantly improved, leading to a better understanding of the design guidelines for nanomaterial synthesis. In the present review, we discuss experimental progress in NP high-pressure research conducted primarily over roughly the past four years on semiconductor NPs, metal and metal oxide NPs, and perovskite NPs. We focus on the pressure-induced behaviors of NPs at both the atomic- and mesoscales, inorganic NP property changes upon compression, and the structural and property transitions of perovskite NPs under pressure. We further discuss in depth progress on molecular modeling, including simulations of ligand behavior, phase-change chalcogenides, layered transition metal dichalcogenides, boron nitride, and inorganic and hybrid organic–inorganic perovskites NPs. These models now provide both mechanistic explanations of experimental observations and predictive guidelines for future experimental design. Here, we conclude with a summary and our insights on future directions for exploration of nanomaterial phase transition, coupling, growth, and nanoelectronic and photonic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Next Gen High Efficiency Boosted Engine Development

This work represents an advanced engineering research project partially funded by the U.S. Department of Energy (DOE). Ford Motor Company, FEV North America, and Oak Ridge National Laboratory collaborated to develop a next generation boosted spark ignited engine concept. The project goals, specified by the DOE, were 23% improved fuel economy and 15% reduced weight relative to a 2015 or newer light-duty vehicle. The fuel economy goal was achieved by designing an engine incorporating high geometric compression ratio, high dilution tolerance, low pumping work, and low friction. The increased tendency for knock with high compression ratio was addressed using early intake valve closing (EIVC), cooled exhaust gas recirculation (EGR), an active pre-chamber ignition system, and careful management of the fresh charge temperature. Engine weight reduction measures were implemented throughout the engine system making use of composite materials, advanced manufacturing techniques, and architectural choices. This report outlines the analytical, design, fabrication, and test work conducted for the duration of the project. The combustion system stability, EGR tolerance, and knock resistance were validated on a single cylinder engine. An inline six-cylinder engine was then designed targeting application in the Ford F150. Multi-cylinder engines were produced and tested achieving the target vehicle fuel economy improvement of 23% assessed using measured engine fuel consumption combined with a vehicle drive cycle simulation. Actions were identified and designs were demonstrated to achieve the 15% weight reduction target. This project included items covering a range of technology readiness levels. Some of the technologies explored are production ready, while others were investigated to understand the limitations for what can be achieved in a stoichiometric, gasoline-fueled, spark-ignited internal combustion engine.

42 ENGINEERING↗
DOE OSTI2024

Full-field quantitative visualization of shock-driven pore collapse and failure modes in PMMA

The dynamic collapse of pores under shock loading is thought to be directly related to hot spot generation and material failure, which is critical to the performance of porous energetic and structural materials. However, the shock compression response of porous materials at the local, individual pore scale is not well understood. This study examines, quantitatively, the collapse phenomenon of a single spherical void in PMMA at shock stresses ranging from 0.4 to 1.0 GPa. Using a newly developed internal digital image correlation technique in conjunction with plate impact experiments, full-field quantitative deformation measurements are conducted in the material surrounding the collapsing pore for the first time. The experimental results reveal two failure mode transitions as shock stress is increased: (i) the first in situ evidence of shear localization via adiabatic shear banding and (ii) dynamic fracture initiation at the pore surface. Numerical simulations using thermo-viscoplastic dynamic finite element analysis provide insights into the formation of adiabatic shear bands (ASBs) and stresses at which failure mode transitions occur. Further numerical and theoretical modeling indicates the dynamic fracture to occur along the weakened material inside an adiabatic shear band. Finally, analysis of the evolution of pore asymmetry and models for ASB spacing elucidate the mechanisms for the shear band initiation sites, and elastostatic theory explains the experimentally observed ASB and fracture paths based on the directions of maximum shear.

42 ENGINEERING↗
DOE OSTI2022

Multi-frame, ultrafast, x-ray microscope for imaging shockwave dynamics

Inertial confinement fusion (ICF) holds increasing promise as a potential source of abundant, clean energy, but has been impeded by defects such as micro-voids in the ablator layer of the fuel capsules. It is critical to understand how these micro-voids interact with the laser-driven shock waves that compress the fuel pellet. At the Matter in Extreme Conditions (MEC) instrument at the Linac Coherent Light Source (LCLS), we utilized an x-ray pulse train with ns separation, an x-ray microscope, and an ultrafast x-ray imaging (UXI) detector to image shock wave interactions with micro-voids. To minimize the high- and low-frequency variations of the captured images, we incorporated principal component analysis (PCA) and image alignment for flat-field correction. After applying these techniques we generated phase and attenuation maps from a 2D hydrodynamic radiation code (xRAGE), which were used to simulate XPCI images that we qualitatively compare with experimental images, providing a one-to-one comparison for benchmarking material performance. Moreover, we implement a transport-of-intensity (TIE) based method to obtain the average projected mass density (areal density) of our experimental images, yielding insight into how defect-bearing ablator materials alter microstructural feature evolution, material compression, and shock wave propagation on ICF-relevant time scales.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Carbonation, strength development, and characterization of calcined limestone as a potential construction material

The emergence of the modern Portland cement has led to the downfall of lime as a construction material. Consequentially, its use has been limited to repair and restoration of historical buildings. Yet, its lower calcination temperature (~950 °C) and the ability to gain strength through carbonation implies its potential as a sustainable alternative to cement. In this study, calcined limestone was studied concerning its carbonation and strength development. Superplasticizer, raw limestone, and different carbonation regimes were explored as techniques to improve the composite strength development, a shortfall that hinders its re-adoption. The results indicated that the raw limestone as a partial replacement of the calcined limestone significantly improved the carbonation degree and mechanical properties. The average compressive strength reached 20 MPa under 20% CO{sub 2} due to the formation of an interconnected network of calcite as the dominant carbonation product. Supercritical CO{sub 2}, in contrast, formed disjoint particles or agglomerates of carbonates.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Novel processing route for design and manufacturing of metal toughened nanoceramics: Al–Al 2 O 3 nanocermets

Monolithic alumina is a highly brittle ceramic with a very low fracture toughness, making it an unreliable material for mechanical and structural applications. Ceramic-metal composites (cermets) are the subject of intensive interest to obtain materials which can address the intrinsic brittleness of ceramics without compromising their high strength and light weight. In the present investigation, aluminium-alumina (Al–Al 2 O 3 ) nanocermets were developed. The nanocermets possessed the toughness of Al phase and the strength of reinforced nano Al 2 O 3 particles. Here, the nanocermets green bodies were prepared such that upon sintering each adjacent Al 2 O 3 grain was conformally coated with a continuous Al film. Mechanical milling via a combination of cryo-milling and ball-milling was used to prepare Al–Al 2 O 3 nano-powder mixture. Spark plasma sintering was used to consolidate the green nanocermets. Results show that specimens prepared from 35 h milled powders exhibited superior mechanical properties as compared to other nanocermets, with an improvement in microhardness, elastic modulus, compressive strength, and flexural strength by 88%, 78%, 69% and 40% with respect to sintered pure Al. The indentation toughness of 35 h milled nanocermet showed an increment of 12.5% with respect to sintered pure Al 2 O 3 . Characterization techniques such as XRD, SEM, HR-TEM, X-ray tomography were employed to investigate the phase evolution and structural morphology, while FEM simulations were performed for understanding the crack propagation mechanisms in nanocermets.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Enhanced Pool Boiling of Low-Pressure Refrigerants on Round Tubes- An Experimental Evaluation

Pool boiling heat transfer is one of the most effective heat transfer methos and crucial for several energy conversion processes such as electronic cooling, steam generation, water purification and thermal management. Enhancing boiling heat transfer around the tubes enables higher heat flux, which can improve the efficiency and lead to compact heat exchangers. Delaying the onset of critical heat flux (CHF) allows for higher CHFs and protects equipment during anomalous transient conditions. Growing interest in process intensification and delayed CHF has motivated the current study. An experimental approach has been deployed to investigate a potential technique to enhance the pool boiling performance around small diameter tubes by open cell metal foams. The findings for nucleate pool boiling of Novec HFE 7000 on the externally enhanced and smooth tubes are reported. The enhanced tube comprised of compressed aluminum foam brazed around. All the samples were horizontally oriented, and the experiments were performed under ambient pressure conditions. The heat transfer measurements for the smooth tubes were compared with several existing correlations and established the baseline. The preliminary results showed that the aluminum foam effectively enhanced the heat transfer coefficient and delayed the onset of critical heat flux. In addition, the pool boiling process around the round tube sample was visualized from both side and front views to comprehend the heat transfer mechanisms underlying substantial enhancement observed during experiments.

Yang, Cheng-Min↗
DOE OSTI2022

A Novel Rotating Flexure-Test Technique for Brittle Materials with Circular Geometries

The four-point bend test is one of the simplest and often the preferred flexural strength evaluation method for brittle materials. In this loading mode, fracture often initiates from a critical surface (or subsurface) flaw when subjected to a tensile stress state. However, if the critical flaw exists on the compression side of the test specimen, it may not activate to grow a crack and hence the resulting flexural strength will be higher than the true value. The goal of this study is to measure the true flexural strength of a solid or hollow cylindrical brittle specimen by ensuring that failure occurs at its weakest point by rotating along its longitudinal axis, thereby exposing and activating its critical surface flaw during a four-point bend test. A novel test fixture has been designed and fabricated, and the true flexural strengths of cylindrical brittle and quasi-brittle tubular specimens have been measured and compared to existing experimental data obtained through traditional four-point bend tests. In this work, experimental results showcase the orientation dependance on flexural strength for various materials. Additionally, similarities between experimental findings and those available in literature, including observations of fracture surfaces and relationships between surface roughness and material strength, are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In Situ Synchrotron X-ray Micro-Diffraction Investigation of Elastic Strains in Laminated Ti-Al Composites

Spatially resolved elastic strains in the bulk interior of a laminated Ti-Al metal composite were studied during in situ tensile loading at strains up to 1.66% by a synchrotron-based micro-diffraction technique, namely differential aperture X-ray microscopy (DAXM). For both Al and Ti grains, deviatoric elastic strains were estimated based on polychromatic X-ray microbeam diffraction, while lattice strains along the normal direction of the tensile sample were directly measured using monochromatic X-ray microbeam diffraction. The estimated deviatoric strains show large spatial variations, and the mean values are consistent with the external loading conditions, i.e., increasing tensile strain along the tensile direction and increasing compressive strain along the sample normal with increasing loading. The directly measured lattice strains also show large spatial variations, although the magnitude of this variation is smaller than that for the estimated deviatoric strain. The directly measured lattice strains in Ti grains are largely consistent with the external loading, whereas those in Al grains are in contradiction with the external loading. The causes of the experimental results are discussed and related to both the laminated microstructure of the composite material and the limitations of the techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Model-independent versus model-dependent interpretation of the SDSS-III BOSS power spectrum: Bridging the divide

The traditional clustering analyses of galaxy redshift surveys compress the clustering data into a set of late-time physical variables in a model-independent way. This approach has recently been extended by an additional shape variable encoding early-time physics information. Here we apply this new technique, ShapeFit, to SDSS-III BOSS data and show that it matches the constraining power of alternative, model-dependent approaches, which directly constrain the model’s parameters adopting a cosmological model ab initio. ShapeFit is ~30 times faster, model independent, naturally splits early- and late-time variables, and enables a better control of observational systematics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Molecular Picture of the Transient Nature of Lipid Rafts

In biological membranes, lipid rafts are now thought to be transient and nanoscopic. However, the mechanism responsible for these nanoscopic assemblies remains poorly understood, even in the case of model membranes. Therefore, it has proven extremely challenging to probe the physicochemical properties of lipid rafts at the molecular level. Here, we use all-atom molecular dynamics (MD) simulations and inelastic X-ray scattering (IXS), an intrinsically nanoscale technique, to directly probe the energy transfer and collective short-wavelength dynamics (phonons) of biologically relevant model membranes. We show that the nanoscale propagation of stress in lipid rafts takes place in the form of collective motions made up of longitudinal (compression waves) and transverse (shear waves) molecular vibrations. Importantly, we provide a molecular picture for the so-called van der Waals mediated "force from lipid" [Anishkin, A. et al. Proc. Natl. Acad. Sci. U.S.A. 2014, 111, 7898], a key parameter for the ionic channel mechano-transduction and the mechanism for the lipid transfer of molecular level stress [Aponte-Santamaría, C. et al. J. Am. Chem. Soc. 2017, 139, 13588]. Specifically, we describe how lipid rafts are formed and maintained through the propagation of molecular stress, lipid raft rattling dynamics, and a relaxation process. Eventually, the rafts dissipate through the self-diffusion of lipids making up the rafts. We also show that the molecular stress and viscoelastic properties of transient lipid rafts can be modulated through the use of hydrophobic biomolecules such as melatonin and tryptophan. Overall, the herein proposed mechanism describing the molecular interactions for the formation and dissolution of lipid rafts may offer insights as to how lipid rafts enable biological function.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Investigating off-Hugoniot states using multi-layer ring-up targets

Abstract Laser compression has long been used as a method to study solids at high pressure. This is commonly achieved by sandwiching a sample between two diamond anvils and using a ramped laser pulse to slowly compress the sample, while keeping it cool enough to stay below the melt curve. We demonstrate a different approach, using a multilayer ‘ring-up’ target whereby laser-ablation pressure compresses Pb up to 150 GPa while keeping it solid, over two times as high in pressure than where it would shock melt on the Hugoniot. We find that the efficiency of this approach compares favourably with the commonly used diamond sandwich technique and could be important for new facilities located at XFELs and synchrotrons which often have higher repetition rate, lower energy lasers which limits the achievable pressures that can be reached.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Adaptive variational quantum dynamics simulations with compressed circuits and fewer measurements

The adaptive variational quantum dynamics simulation (AVQDS) method performs real-time evolution of quantum states using automatically generated parametrized quantum circuits that often contain substantially fewer gates than Trotter circuits. Here we report an improved version of the method, which we call AVQDS(T), by porting the tiling efficient trial circuits with rotations implemented simultaneously technique. The algorithm adaptively adds layers of disjoint unitary gates to the ansatz circuit so as to keep the McLachlan distance, a measure of the accuracy of the variational dynamics, below a fixed threshold. Here we perform benchmark noiseless AVQDS(T) simulations of quench dynamics in local spin models and compare with an alternative adaptive variational approach on quantum resource requirement. Quantum dynamical simulations implementing realistic noise channels are also reported. Finally, we propose a way to substantially alleviate the measurement overhead of AVQDS(T) while maintaining high accuracy by synergistically integrating quantum circuit calculations on quantum processing units with classical calculations using, e.g., tensor networks to evaluate the quantum geometric tensor. We showcase that this approach enables AVQDS(T) to deliver more accurate results than simulations using a fixed ansatz of comparable final depth for a significant time duration with fewer quantum resources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗