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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Collisional broadening of nonlinear resonant wave–particle interactions

A general procedure for understanding plasma behaviour when resonant wave–particle interactions are the sole destabilizing and transport mechanism or only heating and/or current drive source is highlighted without recourse to involved numerical or analytical treatments. These phenomena are characterized by transport that appears to be collisionless even though collisions play a central role in narrow collisional boundary layers. The order of magnitude estimates, which include nonlinear effects, are shown to provide expressions in agreement with the principal results of recent toroidal Alfvén eigenmode (TAE), toroidal magnetic field ripple, and heating and current drive treatments. More importantly, the retention of nonlinearities leads to new estimates of the alpha particle energy diffusivity at saturation for TAE modes, and the ripple threshold at which superbanana plateau evaluations of alpha particle transport are modified by nonlinear radial drift effects. In addition, the estimates indicate when quasilinear descriptions for heating and current drive will begin to fail. The phenomenological procedure demonstrates that in magnetic fusion relevant plasmas, narrow collisional boundary layers must be retained for resonant wave–particle interactions as they enhance the role of collisions, and make stochastic particle motion unlikely to be more important than other nonlinear processes.

Physics↗
DOE OSTI2024

Zn 2+ -mediated catalysis for fast-charging aqueous Zn-ion batteries

Rechargeable aqueous zinc-ion batteries (AZIBs), renowned for their safety, high energy density and rapid charging, are prime choices for grid-scale energy storage. Historically, ion-shuttling models centring on ion-migration behaviour have dominated explanations for charge/discharge processes in aqueous batteries, like classical ion insertion/extraction and pseudocapacitance mechanisms. However, these models struggle to account for the exceptional performance of AZIBs compared to other aqueous metal-ion batteries. Here, in this study, we present a catalysis model elucidating the Zn 2+ anomaly in aqueous batteries, explaining it through the concept of adsorption in catalysis. Such behaviour can serve the charge/discharge role, predominantly dictated by solvated metal cations and cathode materials. First-principles calculations suggest optimal adsorption/desorption behaviour (water dissociation process) with the Zn 2+ -vanadium nitride (VN) combination. Experimentally, AZIBs implementing VN cathodes demonstrate fast-charging kinetics, showing a capacity of 577.1 mAh g -1 at a current density of 300,000 mA g -1 . The grasp of catalysis steps within AZIBs can drive solutions beyond state-of-the-art fast-charging batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Spontaneous and reversible hollowing of alloy anode nanocrystals for stable battery cycling

High-capacity alloy anode materials for Li-ion batteries have long been held back by limited cyclability caused by the large volume changes during lithium insertion and removal. Hollow and yolk-shell nanostructures have been used to increase the cycling stability by providing an inner void space to accommodate volume changes and a mechanically and dimensionally stable outer surface. These materials, however, require complex synthesis procedures. Here, using in situ transmission electron microscopy, we show that sufficiently small antimony nanocrystals spontaneously form uniform voids on the removal of lithium, which are then reversibly filled and vacated during cycling. This behaviour is found to arise from a resilient native oxide layer that allows for an initial expansion during lithiation but mechanically prevents shrinkage as antimony forms voids during delithiation. In this work, we developed a chemomechanical model that explains these observations, and we demonstrate that this behaviour is size dependent. Thus, antimony naturally evolves to form optimal nanostructures for alloy anodes, as we show through electrochemical experiments in a half-cell configuration in which 15-nm antimony nanocrystals have a consistently higher Coulombic efficiency than larger nanoparticles.

25 ENERGY STORAGE↗
DOE OSTI2022

Thick filament activation is different in fast- and slow-twitch skeletal muscle

The contractile properties of fast-twitch and slow-twitch skeletal muscles are primarily determined by the myosin isoform content and modulated by a variety of sarcomere proteins. X-ray diffraction studies of regulatory mechanisms in muscle contraction have focused predominately on fast- or mixed-fibre muscle with slow muscle being much less studied. Here, we used time-resolved X-ray diffraction to investigate the dynamic behaviour of the myofilament proteins in relatively pure slow-twitch-fibre rat soleus (SOL) and pure fast-twitch-fibre rat extensor digitorum longus (EDL) muscle during twitch and tetanic contractions at optimal length. During twitch contractions the diffraction signatures indicating a transition in the myosin heads from ordered OFF states, where heads are held close to the thick filament backbone, to disordered ON states, where heads are free to bind to thin filaments, were found in EDL and not in SOL muscle. During tetanic contraction, changes in the disposition of myosin heads as active tension develops is a quasi-stepwise process in EDL muscle whereas in SOL muscle this relationship appears to be linear. The observed reduced extensibility of the thick filaments in SOL muscle as compared to EDL muscles indicates a molecular basis for this behaviour. These data indicate that for the EDL, thick filament activation is a cooperative strain-induced mechano-sensing mechanism, whereas for the SOL, thick filament activation has a more graded response. Further, these different approaches to thick filament regulation in fast- and slow-twitch muscles may be adaptations for short-duration, strong contractions versus sustained, finely controlled contractions, respectively.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Thermodynamics of high-pressure ice phases explored with atomistic simulations

Most experimentally known high-pressure ice phases have a body-centred cubic (bcc) oxygen lattice. Our large-scale molecular-dynamics simulations with a machine-learning potential indicate that, amongst these bcc ice phases, ices VII, VII' and X are the same thermodynamic phase under different conditions, whereas superionic ice VII" has a first-order phase boundary with ice VII'. Moreover, at about 300 GPa, the transformation between ice X and the Pbcm phase has a sharp structural change but no apparent activation barrier, whilst at higher pressures the barrier gradually increases. Our study thus clarifies the phase behaviour of the high-pressure ices and reveals peculiar solid–solid transition mechanisms not known in other systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

The Birth of Minerals: From Single Step to Multiple Step Mechanisms

Mineral formation from ions in aqueous solutions begins with complex initial stages, where amorphous and liquid-like precursors play pivotal roles before crystalline growth occurs. Both classical and non-classical nucleation and growth theories, introduced in previous chapters, offer explanations, each with their own strengths and limitations, for the complex intermediate phases observed in experimental research. Analytical techniques play a critical role in detecting and characterizing precursor phases, offering valuable insights into nucleation and growth mechanisms across various temporal and spatial scales. In conclusion, molecular dynamics and modelling provide in-depth perspectives on these phases, allowing for a closer examination of their nucleation and growth mechanisms at the molecular level, and revealing the intricate processes that govern their behaviour.

amorphous↗
DOE OSTI2020

A viscoelastic model for seismic attenuation using fractal mechanical networks

SUMMARY Seismic attenuation (quantified by the quality factor Q) has a significant impact on the seismic waveforms, especially in the fluid-saturated rocks. This dissipative process can be phenomenologically represented by viscoelastic models. Previous seismological studies show that the Q value of Earth media exhibits a nearly frequency-independent behaviour (often referred to as constant-Q in literature) in the seismic frequency range. Such attenuation can be described by the mathematical Kjartansson constant-Q model, which lacks of a physical representation in the viscoelastic sense. Inspired by the fractal nature of the pore fluid distribution in patchy-saturated rocks, here we propose two fractal mechanical network (FMN) models, that is, a fractal tree model and a quasi-fractal ladder model, to phenomenologically represent the frequency-independent Q behaviour. As with the classic viscoelastic models, the FMN models are composed of mechanical elements (spring and dashpots) arranged in different hierarchical patterns. A particular parametrization of each model can produce the same complex modulus as in the Kjartansson model, which leads to the constant-Q. Applying the theory to several typical rock samples, we find that the seismic attenuation signature of these rocks can be accurately represented by either one of the FMN models. Besides, we demonstrate that the ladder model in particular exhibits the realistic multiscale fractal structure of the saturated rocks. Therefore, the FMN models as a proxy could provide a new way to estimate the microscopic rock structure property from macroscopic seismic attenuation observation.

Geochemistry & Geophysics↗
DOE OSTI2026

Uniaxial tensile mechanical properties from a scratch on ultra-fine grained tungsten

We demonstrate that surface-based mechanical testing can be used to quantify a wide range of mechanical properties determined using traditional uniaxial tension experiments. These include mapping of dynamic stress–strain behaviour, which can be used as a screening tool for uniaxial tensile ductility (uniform elongation), fracture toughness (K C ), which is shown to be in good agreement with reported plane-strain K IC , as well work-hardening exponents (n), activation volumes (V) energies (Q) and strain-rate sensitivity (m) exponents as a function of temperature. Advantages of the surface-based approach are the ability to work with significantly smaller volumes and accommodate processing defects like pores, voids and cracks. These methods are applied to ultra-fine grained tungsten (average grain size of 650 nm), as it is an ideal candidate for alloy development efforts in advanced energy systems. Tungsten is a useful baseline as it exhibits a near-ambient temperature (approx. 200°C) ductile-to-brittle transition temperature (DBTT), enabling validation efforts for the proposed methods, and extraordinary material properties, including the highest melting temperature of any metal and complex temperature and strain-rate dependencies linked to transitions in dislocation mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Polyakov model in ’t Hooft flux background: a quantum mechanical reduction with memory

We construct a compactification of Polyakov model on T 2 × $\mathbb{R}$ down to quantum mechanics which remembers non-perturbative aspects of field theory even at an arbitrarily small area. Standard compactification on small T 2 × $\mathbb{R}$ possesses a unique perturbative vacuum (zero magnetic flux state), separated parametrically from higher flux states, and the instanton effects do not survive in the Born-Oppenheimer approximation. By turning on a background magnetic GNO flux in co-weight lattice corresponding to a non-zero ’t Hooft flux, we show that N-degenerate vacua appear at small torus, and there are N - 1 types of flux changing instantons between them. We construct QM instantons starting with QFT instantons using the method of replicas. For example, SU(2) gauge theory with flux reduces to the double-well potential where each well is a fractional flux state. Despite the absence of a mixed anomaly, the vacuum structure of QFT and the one of QM are continuously connected. We also compare the quantum mechanical reduction of the Polyakov model with the deformed Yang-Mills, by coupling both theories to TQFTs. In particular, we compare the mass spectrum for dual photons and energy spectrum in the QM limit. We give a detailed description of critical points at infinity in the semi-classical expansion, and their role in resurgence structure.

nonperturbative effects↗
DOE OSTI2023

Microstability of β ~ 1 tokamak equilibria

High-power-density tokamaks offer a potential solution to design cost-effective fusion devices. One way to achieve high power density is to operate at a high β value (the ratio of thermal to magnetic pressure), i.e. β~1 . However, a β~1 state may be unstable to various pressure- and current-driven instabilities or have unfavourable microstability properties. To explore these possibilities, we generate β~1 equilibria and investigate their stability. First, we demonstrate the generation of high-β equilibria with the computer code VMEC. We then analyse these equilibria to determine their stability against the infinite-n ideal-ballooning mode. We follow that by engaging in a detailed microstability study using the GS2 code, beginning with assessments of electrostatic ion-temperature-gradient and trapped election mode instabilities. We observe interesting behaviour for the high-β equilibria – stabilization of these modes through two distinct mechanisms – large negative local shear and reversal of electron precession drift. Finally, we perform electromagnetic gyrokinetic simulations and observe enhanced stability in the outer core of high-β equilibria and absence of kinetic ballooning modes in the negative-triangularity, high-β equilibria. The enhanced outer-core stability of high-β equilibria is different from their lower-β counterparts and offers an alternative, potentially favourable regime of tokamak operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Phoresy in animals: review and synthesis of a common but understudied mode of dispersal

Phoresy is a type of interaction in which one species, the phoront, uses another species, the dispersal host, for transportation to new habitats or resources. Despite being a widespread behaviour, little is known about the ecology and evolution of phoresy. Our goal is to provide a comprehensive review of phoretic dispersal in animals and to bring renewed attention to this subject. We surveyed literature published between 1900 and 2020 to understand the extent of known higher-level taxonomic diversity (phyla, classes, and orders) and functional aspects of animals that use phoretic dispersal. Species dispersing phoretically have been observed in at least 13 animal phyla, 25 classes, and 60 orders. The majority of known phoronts are arthropods (Phylum Euarthropoda) in terrestrial habitats, but phoronts also occur in freshwater and marine environments. Marine phoronts may be severely under-represented in the literature due to the relative difficulty of studying these systems. Phoronts are generally small with low mobility and use habitats or resources that are ephemeral and/or widely dispersed. Many phoronts are also parasites. In general, animals that engage in phoresy use a wide variety of morphological and behavioural traits for locating, attaching to, and detaching from dispersal hosts, but the exact mechanisms behind these activities are largely unknown. In addition to diversity, we discuss the evolution of phoresy including the long-standing idea that it can be a precursor to parasitism and other forms of symbioses. To conclude, we suggest several areas of future research to improve our understanding of phoresy and its ecological and evolutionary significance.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

A proximity‐based image‐processing algorithm for colloid assignment in segmented multiphase flow datasets

Summary Colloidal transport and deposition are of both environmental and engineering importance. Easier access to x‐ray microtomography (XMT) coupled with improved imaging resolution has made XMT a unique and viable tool for visualizing and quantifying these processes. Currently, there is scant information in the literature addressing colloid segmentation and analysis in saturated and unsaturated porous media, in particular related to spatial partitioning of colloids. To support this need, an approach to assign segmented colloidal particles and aggregates to different partitioning classes based on their proximity to different phases is presented here. The method uses different markers for each attachment site (e.g. wetting‐nonwetting phase interfaces). An example XMT dataset from a drainage experiment is used to demonstrate the efficacy of the image processing algorithms. Flow conditions, and fluid and colloid properties, can thus be compared to the behaviour of colloids within the porous medium. This algorithm can help elucidate colloidal deposition mechanisms and the importance of different attachment sites, explore the importance of fluid properties, as well as the arrangement and shape of the colloids.

BRUECK, C. L.↗
DOE OSTI2023

Reversible transformations between the non-porous phases of a flexible coordination network enabled by transient porosity

Abstract Flexible metal–organic materials that exhibit stimulus-responsive switching between closed (non-porous) and open (porous) structures induced by gas molecules are of potential utility in gas storage and separation. Such behaviour is currently limited to a few dozen physisorbents that typically switch through a breathing mechanism requiring structural contortions. Here we show a clathrate (non-porous) coordination network that undergoes gas-induced switching between multiple non-porous phases through transient porosity, which involves the diffusion of guests between discrete voids through intra-network distortions. This material is synthesized as a clathrate phase with solvent-filled cavities; evacuation affords a single-crystal to single-crystal transformation to a phase with smaller cavities. At 298 K, carbon dioxide, acetylene, ethylene and ethane induce reversible switching between guest-free and gas-loaded clathrate phases. For carbon dioxide and acetylene at cryogenic temperatures, phases showing progressively higher loadings were observed and characterized using in situ X-ray diffraction, and the mechanism of diffusion was computationally elucidated.

Chemistry↗
DOE OSTI2020

Materials and technological processes for High-Gradient accelerating structures: new results from mechanical tests of an innovative braze-free cavity.

Pure oxygen-free high-conductivity copper is a widely used material for manufacturing accelerating cavities working at room temperature. Several studies attempted to explain limitations associated with the maximum allowed field gradients and the behaviour of vacuum RF breakdown in copper accelerating structures through generation and movement of dislocations under stresses associated with RF electric and magnetic fields. Pure copper and also copper alloys undergo mechanical and thermal treatments to be hardened and strengthened during manufacturing, although their mechanical properties significantly change after heating above 590°C. High temperature brazing and diffusion bonding are assembly methods widely used to manufacture ultra-high vacuum accelerating devices. However, these processes, occurring at about 800–1000°C, significantly affect the mechanical properties of copper and copper alloys. We introduce here a novel Tungsten Inert Gas welding procedure, which is fast and keeps the high-gradient surfaces of the cavity and other components well below the copper annealing temperature. This process may be successfully used to manufacture copper-based accelerating components. This technology further preserves the hardness and cleanliness of copper in order to achieve the maximum accelerating gradient.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Seismic Performance of Conventional and Additively Manufactured U-Shaped Flexural Plates

U-shape flexural plates (UFPs) have gained significant attention in seismic structural design due to their ability to provide stable hysteresis behaviour and serve as effective energy-dissipating devices. Concurrently, Additive Manufacturing (AM) has advanced significantly, enabling the production of metallic components with mechanical properties comparable to those of conventionally manufactured cold-rolled materials. This study aims to explore the seismic response of single and double UFP fabricated through Laser Powder Based Fusion (LPBF) and conventional cold rolled 316L stainless steel (SS). The experimental results are evaluated based on force-displacement hysteresis behaviour, energy dissipation capacity, load-carrying capacity, and stiffness degradation. The findings confirm the efficacy of AM-fabricated UFPs for seismic energy dissipation. Additionally, the results suggest the potential for further improvement through the optimization of AM process parameters, such as laser scan speed, hatch spacing, and layer thickness, to enhance hysteretic performance and energy dissipation characteristics.

Risal, Kshitiz [Idaho State University]↗
DOE OSTI2022

Multiplicity dependence of charged-particle jet production in pp collisions at $\sqrt{s}$ = 13 TeV

The multiplicity dependence of jet production in pp collisions at the centre-of-mass energy of $\sqrt{s}$ = 13 TeV is studied for the first time. Jets are reconstructed from charged particles using the anti-$k_T$ algorithm with resolution parameters $\textit{R}$ varying from 0.2 to 0.7. The jets are measured in the pseudorapidity range |$η_{\text{jet}}$| < 0.9 – $\textit{R}$ and in the transverse momentum range 5 < $p^{ch}_{\text{T,jet}}$ < 140 GeV/c. The multiplicity intervals are categorised by the ALICE forward detector V0. The $p_T$ differential cross section of charged-particle jets are compared to leading order (LO) and next-to-leading order (NLO) perturbative quantum chromodynamics (pQCD) calculations. It is found that the data are better described by the NLO calculation, although the NLO prediction overestimates the jet cross section below 20 GeV/c. The cross section ratios for different $\textit{R}$ are also measured and compared to model calculations. These measurements provide insights into the angular dependence of jet fragmentation. The jet yield increases with increasing self-normalised charged-particle multiplicity. This increase shows only a weak dependence on jet transverse momentum and resolution parameter at the highest multiplicity. While such behaviour is qualitatively described by the present version of PYTHIA, quantitative description may require implementing new mechanisms for multi-particle production in hadronic collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Tuneable phase behaviour and glass transition via polymerization-induced phase separation in crosslinked step-growth polymers

We report once limited to chain-growth polymerizations, fine control over polymerization-induced phase separation (PIPS) has recently been demonstrated in rubber-toughened thermoset materials formed through step-growth polymerizations. The domain length scales of these thermoset materials can be elegantly tuned by utilizing a binary mixture of curing agents (CAs) that individually yield disparate morphologies. Importantly, varying the composition of the binary mixture affects characteristics of the materials such as glass transition temperature and tensile behavior. Here, we establish a full phase diagram of PIPS in a rubber-toughened epoxy system tuned by a binary CA mixture to provide a robust framework of phase behaviour. X-Ray scattering in situ and post-PIPS is employed to elucidate the PIPS mechanism whereby an initial polymerization-induced compositional fluctuation causes nanoscale phase separation of rubber and epoxy components prior to local chain crosslinking and potential macrophase separation. We further demonstrate the universality of this approach by alternatively employing binary epoxy or binary rubber mixtures to achieve broad variations in morphology and glass transitions.

59 BASIC BIOLOGICAL SCIENCES↗