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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Small-𝑥 behavior in QCD from maximal entanglement and conformal invariance

Recent evidence suggests that, at small Bjorken 𝑥, QCD evolution drives the proton into a state of maximal entanglement. If the evolution kernel is assumed to be conformally invariant—as is the case for the Balitsky-Fadin-Kuraev-Lipatov equation—we can describe it by a conformal field theory. Moreover, the central charge 𝑐 of the corresponding conformal field theory emerges as the key parameter governing the 𝑥 dependence of both the entanglement entropy and the structure function. Here we apply the exact Bethe ansatz methods to the quantum spin chain dual to Lipatov’s high energy effective action to extract the central charge of the theory, and find that 𝑐 = 1. This implies the ∼𝑥 −1/3 small 𝑥 behavior for the structure function—the prediction that can be tested at the forthcoming Electron-Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Computational modeling of microalgal biofilm growth in heterogeneous rotating algal biofilm reactors (RABRs) for wastewater treatment

Rotating algal biofilm reactors (RABRs) are innovative systems designed to cultivate microalgae biofilms efficiently. In this paper, we have developed a novel mathematical model to accurately capture the growth dynamics of algae biofilms within RABR. By considering the spatial heterogeneity of the RABR, we introduce a PDE-based model that addresses the spatial variations across the substratum, enabling a more accurate simulation of biofilm growth in RABRs. The photosynthesis process is modeled through reactive kinetics, driving the growth of the algae biofilm. To analyze the system's behavior, we employ finite difference numerical methods to solve the complex PDE model. We then conduct extensive numerical simulations to understand algae biofilm growth in the RABR environment under various operational factors and environmental conditions. One primary focus in these simulations is to investigate the impact of various harvesting strategies, harvesting frequencies, light intensity, and light exposure on the overall biomass productivity of the algae biofilm. The numerical results provide valuable insights into optimizing algae biofilm growth and designing harvesting techniques in RABR systems. Our proposed novel mathematical model provides an effective platform for the theoretical investigation and design of RABRs for wastewater treatment.

09 BIOMASS FUELS↗
DOE OSTI2021

An investigation of hard-disk drive circularity accounting for socio-technical dynamics and data uncertainty

The installed data storage capacity in the U.S. will reach 2.2 Zettabytes by 2025, generating about 50 million units of end-of-life (EOL) hard-disk drives (HDDs) per year. Due to data security concerns, most EOL HDDs are currently shredded (even when still functioning), representing an economic loss. Moreover, raw material extraction linked to the increased demand for storage causes environmental impacts. Besides mitigating the threat posed by sudden restrictions of raw materials, the circular economy (CE) offers to maximize value retention in the economy and reduce the environmental impacts of human activities. Common CE strategies are reusing and recycling products. However, the reuse of hard disk drives is currently burdened by the lack of trust HDD end-users have toward other non-physical means of data removal than shredding. Here, an agent-based modeling (ABM) approach is proposed to explore how techno-economic and social factors affect end-users' decisions to adopt EOL management practices other than shredding. The proposed method also accounts for data uncertainty by applying a semi-quantitative approach. Results demonstrate how increased green procurement and more robust standards could spur end-users' trust toward data-wiping technologies. Even when accounting for uncertainty, HDDs' reuse brings better environmental and economic benefits than HDD shredding followed by material recovery. The semi-quantitative approach proposed in this study could be more universally applied in future ABM, especially given the often-stochastic nature of such models. The developed ABM is also the first to represent several HDD industry stakeholders and demonstrate how the HDD shredding lock-in situation could be resolved.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Surface Gibbs free energy analyses of Sr segregation in lanthanum strontium iron oxide

Sr surface segregation in mixed-cation oxides often causes degradation of chemical or electrochemical performance. In this work, the thermodynamic driving force for Sr segregation is investigated to explain the Sr segregation behavior in La0.5Sr0.5FeO3 (LSF). Specifically, Density Functional Theory is used to calculate the surface Gibbs free energy of various surface terminations of cubic (100) LSF as a function of chemical potential and temperature. Here, SrO-terminated surfaces are predicted to be dominant, promoting Sr segregation at high temperatures and low oxygen partial pressure.

08 HYDROGEN↗
DOE OSTI2025

Autonomous phase mapping of gold nanoparticles synthesis with differentiable models of spectral shape

Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis, characterization, and data-driven decision-making. We present a closed-loop workflow for the on-demand synthesis and structural characterization of colloidal gold nanoparticles, enabling direct mapping from composition to nanoscale structure. Our framework leverages differentiable models of spectral shape to address two central tasks in self-driving labs: (a) phase mapping, or identifying compositional regions with distinct structural behavior; and (b) material retrosynthesis, or optimizing compositions for target structure. Using functional data analysis, we develop a data-driven model with generative pre-training, active learning, and high-throughput experiments to predict spectral responses across composition space. We demonstrate the approach on seed-mediated growth of gold nanoparticles, showcasing its ability to extract design rules, reveal secondary interactions, and efficiently navigate morphology space. Gradient-based optimization of the models enables inverse design, making this a unified platform.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Construction of generalized quasilinear diffusion coefficient using neural networks with physical restrictions

The quasilinear diffusion coefficient (D QL ) derived from our machine learning framework shows comparable trends with the ground truth D QL obtained from GENRAY-CQL3D simulations. Additionally, for the strong absorption cases, the radial current drive profiles generated using the D QL from our model exhibit consistent behavior with those obtained from the original simulation. These findings indicate the potential of our surrogate modeling approach with physical restrictions to replicate key wave–plasma interaction characteristics while reducing computational costs. Traditionally, calculating D QL for wave–particle interactions relies on computationally intensive wave simulations coupled with Fokker–Planck solvers. To address this challenge, we developed a machine learning-based surrogate model with physical restrictions derived from cold plasma theory and bounce-averaged damping effects. First, we establish the propagation domain of Lower Hybrid Waves in the (N∥, ρ) space by identifying the accessibility limit and determining the upper and lower bounds of N∥ using the Potential Power Deposition (PPD) method. Subsequently, leveraging a database constructed using Latin hypercube sampling alongside the underlying physical restrictions (e.g. PPD), machine learning methods including U-Net and Recurrent Neural Networks are employed to design a physics-restricted machine learning framework capable of reconstructing D QL .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Overview of the KSTAR experiments and future plan

The Korea Superconducting Tokamak Advanced Research (KSTAR) device has recently entered a new phase of operation following the installation of a tungsten mono-block divertor, providing a unique platform to investigate high-performance, long-pulse plasma scenarios for future reactors. The 2023–2024 experimental campaigns demonstrated significant progress in commissioning the tungsten divertor, developing plasma operation scenarios, and achieving real-time control. Comparative studies revealed increased core radiation losses and associated performance degradation relative to the carbon divertor environment. Alleviation strategies, such as optimized neutral beam injection timing, boron powder seeding, and impurity control through gas puffing, were shown to reduce tungsten accumulation and extend high-performance phases, including record H-mode operation exceeding 100 s. International collaboration enabled the first demonstration of high poloidal beta scenarios with an internal transport barrier on KSTAR. Advances in control included upgraded real-time resonant magnetic perturbation schemes and disruption forecasting. Furthermore, divertor detachment control using a new surrogate-model-based approach with real-time radiation imaging demonstrated active impurity and heat flux management. Supported by enhanced heating, current drive, and diagnostic systems, these achievements offer valuable insights into tungsten impurity behavior, transport physics, and control strategies for future reactors including ITER. Planned upgrades toward a full-tungsten wall and ITER-aligned real-time plasma control will further establish KSTAR as a leading experimental platform for developing operational scenarios required to achieve steady-state, burning plasma conditions.

KSTAR↗
DOE OSTI2020

The enigmatic Galactic Center excess: Spurious point sources and signal mismodeling

The Galactic Center GeV excess (GCE) has garnered great interest as a possible signal of either dark matter annihilation or some novel astrophysical phenomenon, such as a new population of gamma-ray emitting pulsars. In a companion paper, we showed that in a 10° radius region of interest (ROI) surrounding the Galactic Center, apparent evidence for GCE point sources (PSs) from non-Poissonian template fitting (NPTF) is actually an artifact of unmodeled north-south asymmetry of the GCE. In this work, we develop a simplified analytic description of how signal mismodeling can drive an apparent preference for a PS population, and demonstrate how the behavior pointed out in the companion paper also appears in simpler simulated datasets that contain no PS signals at all. We explore the generality of this behavior in the real gamma-ray data, and discuss the implications for past and future studies using NPTF techniques. While the drop in PS preference once north-south asymmetry is included is not ubiquitous in larger ROIs, we show that any overly-rigid signal model is expected to yield a spurious PS signal that can appear very convincing: as well as apparent significance comparable to what one would expect from a true PS population, the signal can exhibit stability against a range of variations in the analysis, and a source count function that is very consistent with previous apparent NPTF-based detections of a GCE PS population. This contrasts with previously studied forms of systematic mismodeling which are unlikely to mimic a PS population in the same way. Finally, in the light of this observation, and its explicit realization in the region where the GCE is brightest, we argue that a dominantly smooth origin for the GCE is not in tension with existing NPTF analyses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Confinement‐Driven Inverse Domain Scaling in Polycrystalline ErMnO 3

Abstract The research on topological phenomena in ferroelectric materials has revolutionized the way people understand polar order. Intriguing examples are polar skyrmions, vortex/anti‐vortex structures, and ferroelectric incommensurabilties, which promote emergent physical properties ranging from electric‐field‐controllable chirality to negative capacitance effects. Here, the impact of topologically protected vortices on the domain formation in improper ferroelectric ErMnO 3 polycrystals is studied, demonstrating inverted domain scaling behavior compared to classical ferroelectrics. It is observed that as the grain size increases, smaller domains are formed. Phase field simulations reveal that elastic strain fields drive the annihilation of vortex/anti‐vortex pairs within the grains and individual vortices at the grain boundaries. The inversion of the domain scaling behavior has far‐reaching implications, providing fundamentally new opportunities for topology‐based domain engineering and the tuning of the electromechanical and dielectric performance of ferroelectrics in general.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Gas-Phase Composition as a Predictive Metric for Calendar Life Behavior of Next-Generation Silicon Anodes

The expansion of renewable technologies and electrification of the transportation sector is driving increased demand for next-generation battery materials that provide higher power and energy density with superior cycling and calendar life stability. Silicon (Si) has a theoretical capacity nearly 10x that of graphite, and is therefore a promising anode material candidate to meet these rigorous performance demands. While leading Si anode battery demonstrations are approaching target metrics for cycle life, a series of complex and interrelated modes of reactivity lead to reduced calendar life and therefore challenge practical adoption of these materials. Deconvoluting the degradation processes that impact Si calendar life is critical to informing the rational and accelerated design of improved Si materials. In the present work, we employ novel sampling techniques and GC-MS-FID characterization to measure gas-phase composition during initial Si cycling, which we tie to selective mechanisms of Si passivation. We utilize a tiered analysis approach to identify and quantify the gas-phase reaction products associated with three advanced Si material candidates under practical operating conditions. Ex situ analysis of Si powders (pure chemical reactivity) is coupled with nondestructive in situ sampling of Si electrodes in a practical pouch-cell format (coupled chemical and electrochemical reactivity). We link the observed gas-phase species evolution to electrochemical behavior and measured calendar life of the three Si materials. Further, we evaluate the voltage-resolved evolution of gas-phase species for one such Si nanomaterial, where nonmonotonic gas generation implies competition between passivating reaction pathways. The measured gas-phase compositional data serves as a critical input for our advanced electrochemical SEI models to identify favorable vs unfavorable reaction pathways to stabilize Si. In addition to bolstering a fundamental understanding of Si reactivity, the present approach informs specific and quantifiable gas-phase metrics tied to calendar life improvements in Si, which can streamline and accelerate the process of next-generation material development.

DIRECT ENERGY CONVERSION,ENERGY STORAGE↗
DOE OSTI2024

When do waves drive plasma flows?

Flows and rotation, particularly E×B rotation, are critical to improving plasma performance, and waves are a primary tool of plasma control. Thus, it is paramount to understand under what conditions waves can drive E×B flows in plasmas. In this didactic review, an invited paper accompanying the 2023 Marshall N. Rosenbluth Doctoral Thesis Award, this question is answered in the context of momentum-conserving quasilinear theory. There are two primary frameworks for momentum-conserving quasilinear theories that can handle both resonant and nonresonant particles: Eulerian averaging theories and oscillation-center Hamiltonian theories. There are also two different paradigmatic wave problems: plane-wave initial value problems, and steady-state boundary value problems. Here, it is shown that each of these frameworks “naturally” works better with a different problem type. By using these theories, one finds a great difference in the behavior of time- vs space-dependent waves. A time-evolving plane wave can only drive flow if the electromagnetic momentum of the wave, given by the Poynting flux, changes. This result precludes flow drive by any planar electrostatic wave. In contrast, a steady-state spatially evolving wave can drive flow whenever there is divergence in the flux of Minkowski momentum, a completely different physical quantity. This review aims to provide a high-level, intuitive understanding of the very different behaviors observed for these two types of problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

High-Fidelity Simulation Study of the Unsteady Flow Effects on High-Pressure Turbine Blade Performance

Abstract Unsteadiness, in the form of both broadband background disturbances and discrete coherent wakes, can have a strong effect on the performance of turbomachinery blades. The influence of the incoming flow has received much interest as it inevitably affects the blade boundary layers and develops as it passes through the machine. In the present work, we investigate the effect of unsteady flow on high-pressure turbines (HPTs), using high-fidelity datasets produced by wall resolved large-eddy simulation of an HPT stage. The effects of incident wakes from an upstream stator, compounded by the presence of freestream turbulence, on the downstream rotor are investigated. Based on analyzing cases with different turbulence intensities and length scales prescribed at the inlet, we show that changing the freestream turbulence characteristics has a direct effect on the unsteady behavior of the stator wakes. As a result, the performance of the rotor is also significantly affected. By detailing the influence of the wake–turbulence interaction, we aim to distinguish driving forces on rotor performance, be it changes in the incident wakes or direct influence from the freestream turbulence. Furthermore, the aerothermal behaviors of the rotor blades have been extensively investigated, showing that the blade boundary layers on the suction and pressure sides respond differently to external disturbances. The insights gained can provide designers with guidelines in understanding the unsteady flow effects of a given flow state, and how the unsteadiness present, either broadband or deterministic, will affect the performance of downstream blades.

Engineering↗
DOE OSTI2020

Size effect in stainless steel thin wires under tension

Miniaturization of modern devices drives the exploration into how materials behave in small dimensions. However, the mechanical behaviors of micro-scale specimens under varied loading conditions are still challenging to characterize and predict. In this work, specimen size-dependent weakening effect was experimentally revealed in 316L stainless steel thin wires under tension with wire diameter decreasing from 200 μm down to 61 μm. The underlying mechanisms were primarily associated with surface grain softening and strain localization, which were largely dependent on the number of grains across wire diameter. Through an analog composite model with surface and interior grains that follows the Hall-Petch relation, the extent of surface grain softening was found to coincide with the flow stress reduction due to lack of boundary strengthening. Further using elasto-plastic self-consistent polycrystal modeling, the stress-strain behaviors of interior and surface grains were well described in analogy to those of bulk materials with similar-size grains and extremely large grains, respectively. Subsequently, the analog composite model well simulated the specimen size-dependent weakening effect under tension. This article provided more insights into the size effect exploration and proposed a practical model for describing size-dependent mechanical behaviors of small-scale materials to be applied to miniaturized devices.

316L stainless steel↗
DOE OSTI2021

Excess-iron driven spin glass phase in Fe 1 + y Te 1 – x Se x

The iron-chalcogenide superconductor FeTe 1– x Se x displays a variety of exotic features distinct from iron pnictides. Although much effort has been devoted to understanding the interplay between magnetism and superconductivity near x = 0.5, the existence of a spin glass phase with short-range magnetic order in the doping range ( x ~ 0.1–0.3) has rarely been studied. Here, we use DC/AC magnetization and (quasi) elastic neutron scattering to confirm the spin-glass nature of the short-range magnetic order in a Fe 1.07 Te 0.8 Se 0.2 sample. The AC-frequency dependent spin-freezing temperature T f generates a frequency sensitivity Δ T f ( ω )/[ T f ( ω )Δlog 10 ω ] ≈ 0.028 and the description of the critical slowing down with τ = τ 0 ( T f / T SG – 1) - z v gives T SG ≈ 22 K and zv ≈ 10, comparable to that of a classical spin-glass system. We have also extended the frequency-dependent T f to the smaller time scale using energy-resolution-dependent neutron diffraction measurements, in which the T N of the short-range magnetic order increases systematically with increasing energy resolution. We find that by removing the excess iron through annealing in oxygen, the spin-freezing behavior disappears, and bulk superconductivity is realized. Thus, the excess Fe is the driving force for the formation of the spin-glass phase detrimental to bulk superconductivity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Skyrmion ratchet in funnel geometries

Here, using a particle-based model, we simulate the behavior of a skyrmion under the influence of asymmetric funnel geometries and ac driving at zero temperature. We specifically investigate possibilities for controlling the skyrmion motion by harnessing a ratchet effect. Our results show that as the amplitude of a unidirectional ac drive is increased, the skyrmion can be set into motion along either the easy or hard direction of the funnel depending on the ac driving direction. When the ac drive is parallel to the funnel axis, the skyrmion flows in the easy direction and its average velocity is quantized. In contrast, when the ac drive is perpendicular to the funnel axis, a Magnus-induced ratchet effect occurs, and the skyrmion moves along the hard direction with a constant average velocity. For biharmonic ac driving of equal amplitude along both the parallel and perpendicular directions, we observe a reentrant pinning phase where the skyrmion ratchet vanishes. For asymmetric biharmonic ac drives, the skyrmion exhibits a combination of effects and can move in either the easy or hard direction depending on the configuration of the ac drives. These results indicate that it is possible to achieve controlled skyrmion motion using funnel geometries, and we discuss ways in which this could be harnessed to perform data transfer operations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Self-assembled complex micelle phase stability in ABA-type triblock copolymers and related core-shell bottlebrushes

We report the synthesis and temperature-dependent morphologies of a series of polylactide--poly (-decalactone)--polylactide (LDL) triblock copolymers with M n = 16.0 – 18.1 kg / mol and volume fractions f L = 0.27 – 0.31 and associated core-shell bottlebrush (csBB) polymers, which derive from enchaining LDL triblocks through a polymerizable midchain functionality. While the LDL triblocks form micellar Frank-Kasper A15 and phases due to the conformational asymmetry of this monomer pair, the csBB morphologies sensitively depend on the backbone degree of polymerization ( N bb ). At low N bb values, micellar Frank-Kasper phases with the brush backbone situated in the matrix domain are stable, albeit with a modest reduction in the mean interfacial curvature evidenced by a to A15 order-to-order transition. However, larger N bb values drive csBBs to form hexagonally packed cylinders phases. This N bb -dependent phase behavior is rationalized in terms of a star-to-bottlebrush transition. At low N bb values, the csBBs are akin to star polymers with pointlike junctions that can support complex micelle packings. As N bb increases, the csBBs adopt cylindrical molecular geometries with extended backbones situated in the matrix domain that prefer hexagonally packed cylinders morphologies. Published by the American Physical Society 2024

Materials Science↗
DOE OSTI2025

Thermalization from quantum entanglement: Jet simulations in the massive Schwinger model

We investigate the emergence of thermalization in a quantum-field-theoretic model mimicking the production of jets in QCD: the massive lattice Schwinger model coupled to external sources. Specifically, we compute the expectation values of local operators as functions of time and compare them to their thermal counterparts, quantify the overlap between the evolving density matrix and the thermal one, and compare the dynamics of the energy-momentum tensor to predictions from relativistic hydrodynamics. Through these studies, we find that the system approaches thermalization at late times and elucidate the mechanisms by which quantum entanglement drives thermalization in closed field-theoretic systems. Our results show how thermodynamic behavior emerges in real time from unitary quantum dynamics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Magnetoelastic-coupling-assisted first-order antiferromagnetic transitions in the corrugated honeycomb-lattice compounds (Ca, Sr) ⁢Mn 2 ⁢ P 2

Understanding the origin of unconventional magnetic order is a central theme in the research field of functional quantum materials for spin-dependent applications. In general, a paramagnetic (PM) to antiferromagnetic (AFM) transition is of thermodynamically second order in nature in the absence of a magnetic field. In the magnetically frustrated corrugated-honeycomb lattice compounds (Ca, Sr) ⁢Mn 2 ⁢ P 2 , electrical resistivity 𝜌 measurements in the 𝑎⁢𝑏 plane are reported to exhibit sharp discontinuities at the respective PM to AFM ordering temperatures 𝑇 N = 69.5 and 53 K, respectively, signifying the unusual first-order nature of the AFM transition. To reveal the origin of such anomalous transitions, high-resolution linear thermal-expansion measurements are reported for both CaMn 2 ⁢P 2 and SrMn 2 ⁢ P 2 in the 𝑎⁢𝑏 plane and along the 𝑐 axis using capacitance dilatometry. The thermal expansion measurements show a sharp discontinuity in Δ⁢𝐿/𝐿 at 𝑇 N , yielding a diverging behavior in the thermal expansion coefficient 𝛼⁡(𝑇) associated with strong magnetoelastic coupling, driving the first-order AFM transition in CaMn 2 ⁢P 2 . However, this effect is weaker in SrMn 2 ⁢P 2 , consistent with the magnetic entropy changes 𝑆⁡(𝑇) obtained from the heat-capacity measurements. Temperature-dependent 𝑎⁢𝑏-plane x-ray diffraction measurements for CaMn 2 ⁢ P 2 near its 𝑇 N yield a volume thermal expansion coefficient consistent with literature data for other materials. The uniaxial pressure derivatives of 𝑇 N in the two compounds are found to be respectively opposite in sign, presumably due to the different magnetic structures.

Pakhira, Santanu [Maulana Azad National Institute ↗