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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Nonisentropic Release of a Shocked Solid

Here, we introduce molecular dynamics simulations of shock and release in micron-scale tantalum crystals that exhibit postbreakout temperatures far exceeding those expected under the standard assumption of isentropic release. We illustrate via an energy-budget analysis that this is due to plastic-work heating from material strength that largely counters thermoelastic cooling. The simulations are corroborated by experiments where the release temperatures of laser-shocked tantalum foils are deduced from their thermal strains via in situ x-ray diffraction and are found to be close to those behind the shock.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Tunable shear thickening, aging, and rejuvenation in suspensions of shape-memory-endowed liquid crystalline particles

The morphological features of particles, notably shape anisotropy, critically influence the rheological properties of dense suspensions, spanning both natural and engineered systems. This work explores the potential of using shape memory particles to dynamically regulate suspension fluid flow through controllable shape transformations. First, we synthesize shape-memory particles with programmable anisotropy from liquid crystal elastomers, such that the stiffness and shapes of the particles can be tuned by manipulating temperature. Our findings reveal that suspensions from such particles exhibit significant tunability in shear thickening behavior, transitioning from discontinuous shear thickening to a Newtonian-like response within a narrow temperature range of 60 ° C. This capability to modulate rheological responses in situ presents an approach for addressing processing challenges in many applications where control over flow behavior is paramount. Furthermore, we also show that suspensions composed of these anisotropic particles can undergo physical aging, and evolve into a glassy state. This state can be escaped upon activation of the shape memory effect. This reversibility underscores the potential for using such materials to engineer systems that can enter or come out of kinetic arrest by leveraging internal mechanical responses to external stimuli. The insights gained here not only broaden our understanding of the interplay between particle geometry and suspension dynamics but also pave the way for leveraging ensembles of stimuli-responsive objects to precisely control collective behaviors in many-body systems.

Science & Technology - Other Topics↗
NASA NTRS1984

Stirling material technology

The Stirling engine is an external combustion engine that offers the advantage of high fuel economy, low emissions, low noise, and low vibrations compared to current internal combustion automotive engines. The most critical component from a materials viewpoint is the heater head consisting of the cylinders, heating tubes, and regenerator housing. Materials requirements for the heater head include compatibility with hydrogen, resistance to hydrogen permeation, high temperature oxidation/corrosion resistance, and high temperature creep-rupture and fatigue properties. A materials research and technology program identified the wrought alloys CG-27 and 12RN72 and the cast alloys XF-818, NASAUT 4G-A1, and NASACC-1 as candidate replacements for the cobalt containing alloys used in current prototype engines. It is concluded that manufacture of the engine is feasible from low cost iron-base alloys rather than the cobalt alloys used in prototype engines. Results of research that lead to this conclusion are presented.

Titran, R. H.↗
NASA NTRS2008

Some Expected Characteristics of Lunar Dust: A Geological View Applied to Engineering

Compared to the Earth the geologic nature of the lunar regolith is quite distinct. Even though similar minerals exist on the Earth and Moon, they may have very different properties due to the absence of chemical modification in the lunar environment. The engineering properties of the lunar regolith reflect aspects of the parent rock and the consequences of hypervelocity meteor bombardment. On scales relevant to machinery and chemical processing for In-Situ Resource Utilization, ISRU (such as water production), the lunar regolith compositional range is much more restricted than terrestrial material. This fact impacts predictions of properties required by design engineers for constructing equipment for lunar use. In this paper two examples will be covered. 1) Abrasion is related to hardness and hardness is a commonly measured property for both minerals and engineering materials. Although different hardness scales are routinely employed for minerals and engineering materials, a significant amount of literature is available relating the two. As one example, we will discuss how to relate hardness to abrasion for the design of lunar equipment. We also indicate how abundant the various mineral phases are and typical size distributions for lunar regolith which will impact abrasive nature. 2) Mineral characteristics that may seem trivial to the non-geologist or material scientist may have significant bearing on ISRU processing technologies. As a second example we discuss the impact of traces of F-, Cl-, and OH-, H2O, CO2, and sulfur species which can radically alter melting points and the corrosive nature of reaction products thereby significantly changing bulk chemistry and associated processing technologies. For many engineering uses, a simulant s fidelity to bulk lunar regolith chemistry may be insufficient. Therefore, simulant users need to engage in continuing dialogue with simulant developers and geoscientists.

Street, Kenneth W.↗
NASA NTRS2008

Some Expected Characteristics of Lunar Dust: A Geological View Applied to Engineering

Compared to the Earth the geologic nature of the lunar regolith is quite distinct. Even though similar minerals exist on the Earth and Moon, they may have very different properties due to the absence of chemical modification in the lunar environment. The engineering properties of the lunar regolith reflect aspects of the parent rock and the consequences of hypervelocity meteor bombardment. On scales relevant to machinery and chemical processing for In-Situ Resource Utilization, ISRU (such as water production), the lunar regolith compositional range is much more restricted than terrestrial material. This fact impacts predictions of properties required by design engineers for constructing equipment for lunar use. In this paper two examples will be covered. 1) Abrasion is related to hardness and hardness is a commonly measured property for both minerals and engineering materials. Although different hardness scales are routinely employed for minerals and engineering materials, a significant amount of literature is available relating the two. As one example, we will discuss how to relate hardness to abrasion for the design of lunar equipment. We also indicate how abundant the various mineral phases are and typical size distributions for lunar regolith which will impact abrasive nature. 2) Mineral characteristics that may seem trivial to the non-geologist or material scientist may have significant bearing on ISRU processing technologies. As a second example we discuss the impact of traces of fluoride, chloride, and hydroxide, water, carbon dioxide, and sulfur species which can radically alter melting points and the corrosive nature of reaction products thereby significantly changing bulk chemistry and associated processing technologies. For many engineering uses, a simulant's fidelity to bulk lunar regolith chemistry may be insufficient. Therefore, simulant users need to engage in continuing dialogue with simulant developers and geoscientists.

Street, Kenneth W.↗
DOE OSTI2023

The Atomic Drill Bit: Precision Controlled Atomic Fabrication of 2D Materials

The ability to deterministically fabricate nanoscale architectures with atomic precision is the central goal of nanotechnology, whereby highly localized changes in the atomic structure can be exploited to control device properties at their fundamental physical limit. Here, an automated, feedback-controlled atomic fabrication method is reported and the formation of 1D–2D heterostructures in MoS 2 is demonstrated through selective transformations along specific crystallographic orientations. The atomic-scale probe of an aberration-corrected scanning transmission electron microscope (STEM) is used, and the shape and symmetry of the scan pathway relative to the sample orientation are controlled. The focused and shaped electron beam is used to reliably create Mo 6 S 6 nanowire (MoS-NW) terminated metallic-semiconductor 1D–2D edge structures within a pristine MoS 2 monolayer with atomic precision. From these results, it is found that a triangular beam path aligned along the zig-zag sulfur terminated (ZZS) direction forms stable MoS-NW edge structures with the highest degree of fidelity without resulting in disordering of the surrounding MoS 2 monolayer. Density functional theory (DFT) calculations and ab initio molecular dynamic simulations (AIMD) are used to calculate the energetic barriers for the most stable atomic edge structures and atomic transformation pathways. These discoveries provide an automated method to improve understanding of atomic-scale transformations while opening a pathway toward more precise atomic-scale engineering of materials.

2D materials↗
DOE OSTI2019

Charging toward improved lithium-ion polymer electrolytes: exploiting synergistic experimental and computational approaches to facilitate materials design

Ion-conducting polymer electrolytes are attractive materials for all-solid-state lithium-ion batteries (LiBs) as a result of their potential to improve performance, mitigate safety concerns, and facilitate efficient device processing. Understanding how lithium-ionic transport is influenced by the macromolecular features, such as dielectric strength, solvation site connectivity, monomer segment relaxation timescales, segregation strength, and mesophase composition, is crucial for advancing ion-conducting materials. The integration of experimental and computational efforts can provide comprehensive links between chemical and structural characteristics (e.g., ion solvation, chain mobility, morphology) and macroscopic performance properties, accelerating the adoption of next-generation polymer electrolytes. Furthermore, this perspective highlights several synergistic experimental–computational approaches that have provided unique insights into local ion and polymer interactions, chain dynamics, and thermodynamics to promote the rational design of new ion-conducting polymers. Additionally, this work concludes with several suggested areas in which methodologies can be augmented, novel properties can be realized, and polymer electrolytes can be integrated to generate more robust LiB systems.

25 ENERGY STORAGE↗
DOE OSTI2013

Band gap engineering of In{sub 2}O{sub 3} by alloying with Tl{sub 2}O{sub 3}

Efficient modulation of the bandgap of In{sub 2}O{sub 3} will open up a route to improved electronic properties. We demonstrate using ab initio calculations that Tl incorporation into In{sub 2}O{sub 3} reduces the band gap and confirm that narrowing of the gap is observed by X-ray photoemission spectroscopy on ceramic surfaces. Incorporation of Tl does not break the symmetry of the allowed optical transitions, meaning that the doped thin films should retain optical transparency in the visible region, in combination with a lowering of the conduction band effective mass. We propose that Tl-doping may be an efficient way to increase the dopability and carrier mobility of In{sub 2}O{sub 3}.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Stability and Compressibility of Cation-Doped High-Entropy Oxide MgCoNiCuZnO 5

High-entropy oxides (HEOx) are multicomponent (≥5) complex oxides that possess material properties and functions unexpected from their constituent simple oxides. Previous studies demonstrated that a cation-doped HEOx, MgCoNiCuZnO 5 , shows good catalytic activity, excellent ionic conductivity, and high energy storage. The structural and mechanical stabilities of materials are pivotal to their applications. However, how temperature and pressure influence the structural stability of cation-doped HEOx and how doping affects the mechanical properties are yet to be understood. In this work, we investigated the structural stabilities of undoped and Li/Mn-doped MgCoNiCuZnO 5 in heating or under compression using in situ synchrotron X-ray diffraction (XRD), and determined their elastic moduli using high-pressure XRD. Our results show that the HEOx compounds are structurally stable at temperatures up to ~450 °C or at pressures up to ~50 GPa, and that Li/Mn doping makes the HEOx more compressible. Our molecular static (MS) calculations predicted that the formation reaction of a HEOx is endothermic, consistent with the fact that a single-phase HEOx can only be produced at high temperatures. The MS calculations also revealed that the observed doping-induced elastic softening stems from the introduction of the Li-O/Mn-O ionic bonds in the HEOx compound, which are weaker than other cation-oxygen ionic bonds in the undoped HEOx. These findings will be indispensable to engineer HEOx materials for use in ion batteries, catalysis, and other fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Auto-ignition of toluene-doped n-heptane and iso-octane/air mixtures: High-pressure shock-tube experiments and kinetics modeling

Toluene is often used as a fluorescent tracer for fuel concentration measurements, but without considering whether it affects the auto-ignition properties of the base fuel. We investigate the auto-ignition of pure toluene and its influence on the auto-ignition of n-heptane and iso-octane/air mixtures under engine-relevant conditions at typical tracer concentrations. Ignition delay times {tau}{sub ign} were measured behind reflected shock waves in mixtures with air at {phi}=1.0 and 0.5 at p=40 bar, over a temperature range of T=700-1200 K and compared to numerical results using two different mechanisms. Based on the models, information is derived about the relative influence of toluene on {tau}{sub ign} on the base fuels as function of temperature. For typical toluene tracer concentrations {<=}10%, the ignition delay time {tau}{sub ign} changes by less than 10% in the relevant pressure and temperature range. (author)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Dislocation theory of steady and transient creep of crystalline solids: Predictions for olivine

In applications critical to the geological, materials, and engineering sciences, deformation occurs at strain rates too small to be accessible experimentally. Instead, extrapolations of empirical relationships are used, leading to epistemic uncertainties in predictions. To address these problems, we construct a theory of the fundamental processes affecting dislocations: storage and recovery. We then validate our theory for olivine deformation. This model explains the empirical relationships among strain rate, applied stress, and dislocation density in disparate laboratory regimes. It predicts the previously unexplained dependence of dislocation density on applied stress in olivine. The predictions of our model for Earth conditions differ from extrapolated empirical relationships. For example, it predicts rapid, transient deformation in the upper mantle, consistent with recent measurements of postseismic creep.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Stacking sequence and interlayer coupling in few-layer graphene revealed by in situ imaging

In the transition from graphene to graphite, the addition of each individual graphene layer modifies the electronic structure and produces a different material with unique properties. Controlled growth of few-layer graphene is therefore of fundamental interest and will provide access to materials with engineered electronic structure. Here we combine isothermal growth and etching experiments with in situ scanning electron microscopy to reveal the stacking sequence and interlayer coupling strength in few-layer graphene. The observed layer-dependent etching rates reveal the relative strength of the graphene graphene and graphene substrate interaction and the resulting mode of adlayer growth. Scanning tunnelling microscopy and density functional theory calculations confirm a strong coupling between graphene edge atoms and platinum. Simulated etching confirms that etching can be viewed as reversed growth. This work demonstrates that real-time imaging under controlled atmosphere is a powerful method for designing synthesis protocols for sp2 carbon nanostructures in between graphene and graphite.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Tailoring Superconductivity with Quantum Dislocations

Despite the established knowledge that crystal dislocations can affect a material’s superconducting properties, the exact mechanism of the electron-dislocation interaction in a dislocated superconductor has long been missing. Being a type of defect, dislocations are expected to decrease a material’s superconducting transition temperature (T c ) by breaking the coherence. Yet experimentally, even in isotropic type I superconductors, dislocations can either decrease, increase, or have little influence on T c . These experimental findings have yet to be understood. Although the anisotropic pairing in dirty superconductors has explained impurity-induced T c reduction, no quantitative agreement has been reached in the case a dislocation given its complexity. By generalizing the one-dimensional quantized dislocation field to three dimensions, we reveal that there are indeed two distinct types of electron-dislocation interactions. Besides the usual electron-dislocation potential scattering, there is another interaction driving an effective attraction between electrons that is caused by dislons, which are quantized modes of a dislocation. The role of dislocations to superconductivity is thus clarified as the competition between the classical and quantum effects, showing excellent agreement with existing experimental data. In particular, the existence of both classical and quantum effects provides a plausible explanation for the illusive origin of dislocation-induced superconductivity in semiconducting PbS/PbTe superlattice nanostructures. A quantitative criterion has been derived, in which a dislocated superconductor with low elastic moduli and small electron effective mass and in a confined environment is inclined to enhance T c . This provides a new pathway for engineering a material’s superconducting properties by using dislocations as an additional degree of freedom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Tunable Mechanical Metamaterial with Constrained Negative Stiffness for Improved Quasi-Static and Dynamic Energy Dissipation

Here we present the computational design, fabrication, and experimental validation of a mechanical metamaterial in which the damping of the material is significantly increased without decreasing the stiffness by embedding a small volume fraction of negative stiffness (NS) inclusions within it. Unlike other systems that dissipate energy primarily through large-amplitude deformation of nonlinear structures, this metamaterial dissipates energy by amplifying linear strains in the viscoelastic host material. By macroscopically tuning the pre-strain of the metamaterial via mechanical loading, the embedded NS inclusions operate about a constrained buckling instability. When further macroscopic vibrational excitation is applied, the inclusions amplify the strains of the surrounding viscoelastic medium. This results in enhanced dissipation of mechanical energy when compared to voided or neat comparison media. Microstereolithography, an emerging high-resolution additive manufacturing (AM) technology, is employed to fabricate the deeply subwavelength inclusions which ensures broadband damping behavior. The mechanically induced broadband energy dissipation and manufacturing approach further differentiate the metamaterial from other approaches that exploit resonances, large deformations, or non-mechanical instabilities. The computational design, fabrication, and experimental evaluation reported is the first dynamic demonstration of such a mechanically tunable NS metamaterial, potentially enabling components with integrated structural and damping capabilities.

42 ENGINEERING↗
DOE OSTI2018

Analytical Modeling of Triple-Metal Hetero-Dielectric DG SON TFET

In this paper, a 2-D analytical model of triple-metal hetero-dielectric DG TFET is presented by combining the concepts of triple material gate engineering and hetero-dielectric engineering. Three metals with different work functions are used as both front- and back gate electrodes to modulate the barrier at source/channel and channel/drain interface. In addition to this, front gate dielectric consists of high-K HfO{sub 2} at source end and low-K SiO{sub 2} at drain side, whereas back gate dielectric is replaced by air to further improve the ON current of the device. Surface potential and electric field of the proposed device are formulated solving 2-D Poisson’s equation and Young’s approximation. Based on this electric field expression, tunneling current is obtained by using Kane’s model. Several device parameters are varied to examine the behavior of the proposed device. The analytical model is validated with TCAD simulation results for proving the accuracy of our proposed model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Nano-infrared imaging of metal insulator transition in few-layer 1T-TaS 2

Abstract Among the family of transition metal dichalcogenides, 1T-TaS 2 stands out for several peculiar physical properties including a rich charge density wave phase diagram, quantum spin liquid candidacy and low temperature Mott insulator phase. As 1T-TaS 2 is thinned down to the few-layer limit, interesting physics emerges in this quasi 2D material. Here, using scanning near-field optical microscopy, we perform a spatial- and temperature-dependent study on the phase transitions of a few-layer thick microcrystal of 1T-TaS 2 . We investigate encapsulated air-sensitive 1T-TaS 2 prepared under inert conditions down to cryogenic temperatures. We find an abrupt metal-to-insulator transition in this few-layer limit. Our results provide new insight in contrast to previous transport studies on thin 1T-TaS 2 where the resistivity jump became undetectable, and to spatially resolved studies on non-encapsulated samples which found a gradual, spatially inhomogeneous transition. A statistical analysis suggests bimodal high and low temperature phases, and that the characteristic phase transition hysteresis is preserved down to a few-layer limit.

42 ENGINEERING↗
DOE OSTI2021

Simultaneous inference of the compressibility and inelastic response of tantalum under extreme loading

We study the deformation of tantalum under extreme loading conditions. Experimental velocity data are drawn from both ramp loading experiments on Sandia’s Z-machine and gas gun compression experiments. The drive conditions enable the study of materials under pressures greater than 100 GPa. We provide a detailed forward model of the experiments including a model of the magnetic drive for the Z-machine. Utilizing these experiments, we simultaneously infer several different types of physically motivated parameters describing equation of state, plasticity, and anelasticity via the computational device of Bayesian model calibration. Characteristics of the resulting calculated posterior distributions illustrate relationships among the parameters of interest via the degree of cross correlation. The calibrated velocity traces display good agreement with the experiments up to experimental uncertainty as well as improvement over previous calibrations. Examining the Z-shots and gun-shots together and separately reveals a trade-off between accuracy and transferability across different experimental conditions. Implications for model calibration, limitations from model form, and suggestions for improvements are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Photo-induced ultrafast active ion transport through graphene oxide membranes

Layered graphene oxide membranes (GOM) with densely packed sub-nanometer-wide lamellar channels show exceptional ionic and molecular transport properties. Mass and charge transport in existing materials follows their concentration gradient, whereas attaining anti-gradient transport, also called active transport, remains a great challenge. Here, we demonstrate a coupled photon-electron-ion transport phenomenon through the GOM. Upon asymmetric light illumination, cations are able to move thermodynamically uphill over a broad range of concentrations, at rates much faster than that via simple diffusion. We propose, as a plausible mechanism, that light irradiation reduces the local electric potential on the GOM following a carrier diffusion mechanism. When the illumination is applied to an off-center position, an electric potential difference is built that can drive the transport of ionic species. We further develop photonic ion switches, photonic ion diodes, and photonic ion transistors as the fundamental elements for active ion sieving and artificial photosynthesis on synthetic nanofluidic circuits.

42 ENGINEERING↗