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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 OSTI2020

Criteria for Realizing Room-Temperature Electrical Transport Applications of Topological Materials

The unusual electronic states found in topological materials can enable a new generation of devices and technologies, yet a long-standing challenge has been finding materials without deleterious parallel bulk conduction. This can arise either from defects or thermally activated carriers. In this study, the criteria that materials need to meet to realize transport properties dominated by the topological states, a necessity for a topological device, are clarified. This is demonstrated for 3D topological insulators, 3D Dirac materials, and 1D quantum anomalous Hall insulators, though this can be applied to similar systems. The key parameters are electronic bandgap, dielectric constant, and carrier effective mass, which dictate under what circumstances (defect density, temperature, etc.) the unwanted bulk state will conduct in parallel to the topological states. As these are fundamentally determined by the basic atomic properties, simple chemical arguments can be used to navigate the phase space to ultimately find improved materials. This will enable rapid identification of new systems with improved properties, which is crucial to designing new material systems and push a new generation of topological technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Photothermally Directed Assembly of Block Copolymers

Block copolymers self-assemble into nanoscale morphologies, spontaneously ordering under thermal annealing conditions owing to the chemical incompatibility between the blocks. Although the morphologies that form can be rationalized based on equilibrium arguments, the structures seen experimentally are strongly influenced by kinetic effects including process history. Recently, a variety of photothermal processing techniques have been used to control block copolymer ordering. Photothermal methods provide access to extreme conditions, including high temperatures, large heating rates, and sharp thermal gradients. Furthermore, this can be used to greatly accelerate block copolymer ordering kinetics, to pattern material order, or to probe fundamental aspects of self-assembly by exploring process histories.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Accelerating Nature: Induced Atomic Order in Equiatomic FeNi

Abstract The production of locally atomically ordered FeNi (known by its meteoric mineral name, tetrataenite) is confirmed in bulk samples by simultaneous conversion X‐ray and backscattered γ‐ray 57 Fe Mössbauer spectroscopy. Up to 22 volume percent of the tetragonal tetrataenite phase is quantified in samples thermally treated under simultaneous magnetic‐ and stress‐field conditions for a period of 6 weeks, with the remainder identified as the cubic FeNi alloy. In contrast, all precursor samples consist only of the cubic FeNi alloy. Data from the processed alloys are validated using Mössbauer parameters derived from natural meteoritic tetrataenite. The meteoritic tetrataenite exhibits a substantially higher degree of atomic order than do the processed samples, consistent with their low uniaxial magnetocrystalline anisotropy energy of ≈1 kJ·m −3 . These results suggest that targeted refinements to the processing conditions of FeNi will foster greater atomic order and increased magnetocrystalline anisotropy, leading to an enhanced magnetic energy product. These outcomes also suggest that deductions concerning paleomagnetic conditions of the solar system, as derived from meteoritic data, may warrant re‐examination and re‐evaluation. Additionally, this work strengthens the argument that tetrataenite may indeed become a member of the advanced permanent magnet portfolio, helping to meet rapidly escalating green energy imperatives.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dynamic process intensification: Fundamentals and implementation to ternary distillation

Distillation remains a key technology for separating liquid mixtures. Its versatility comes with the disadvantage of high energy consumption. We previously used empirical arguments to introduce dynamic process intensification (DPI) as a strategy for improving the energy efficiency of binary distillation. In this article, we focus on ternary distillation; we begin by providing a rigorous basis for DPI, then formulate the problem of identifying the operating states for DPI as a nonlinear optimization problem. Via an extensive case study considering a hydrocarbon mixture, we demonstrate that reboiler energy use can be reduced by more than 2.3% relative to an equivalent column operating at steady state. Here, we prove that this result is due to the fact that DPI aims to satisfy product flow and quality constraints on average in time, affording broader opportunities for optimizing column economics than steady-state operation, where constraints are met strictly at all times.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Connecting research and teaching introductory cell and molecular biology using an Arabidopsis mutant screen

A complex research project was translated into a Course-based Undergraduate Research Experience (CURE), which was implemented in sections of an introductory Cell and Molecular Biology laboratory course. The research laboratory generated an engineered plant line producing a growth-inhibiting, lipid-derived plant hormone and mutagenized this line. Students in the CURE cultured the mutagenized plant population and selected and characterized suppressor mutants. They learned to observe phenotypes related to the biosynthesis and perception of the plant hormone and explored the genetic and biochemical basis of these phenotypes. As the students studied the relevant genetic, molecular and biochemical concepts during this CURE, they were able to translate this knowledge into practice and develop scientific arguments. This CURE was a successful collaboration between the teaching lab and the research lab. It benefited both parties as the students had a real-life, deep learning experience in scientific methodology, while the research lab gathered data and materials for further studies

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Probing the Li 4 Ti 5 O 12 Interface Upon Lithium Uptake by Operando Small Angle Neutron Scattering

The formation of a solid–electrolyte interphase (SEI) on the surface of Li 4 Ti 5 O 12 (LTO) has become a highly controversial topic, with arguments for it and against it. However, prior studies supporting the formation of an SEI layer have typically suggested that a layer forms upon cycling of a cell, although the layer is probed after disassembling. In this study, cubic mesostructured LTO is synthesized with crystallite domain sizes between 3 and 4 nm and uniform pores with diameters ≤8 nm. The mean pore size is controlled between 4–8 nm through the use of a triblock amphipathic copolymer with a tunable hydrophobic block as template and by thermal treatment. The LTO morphology obtained is spherical and evolves upon heat treatment. We report these materials show excellent electrochemical performance, including high rate capability and capacity retention. The LTO material is subjected to operando small-angle neutron scattering and X-ray photoelectron spectroscopy experiments, which reveal that the highly debated SEI forms at potentials as high as 2.2 V, first as a LiF-rich layer and subsequently by the growth of a carbonaceous layer. These SEI products form first on the smaller pores before forming on the mesopores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Slip velocity boundary conditions for the lattice Boltzmann modeling of microchannel flows

Abstract Slip flows in ducts are important in numerous engineering applications, most notably in microchannel flows. Compared to the standard no‐slip Dirichlet condition, the case of slip formulates as a Robin‐type condition for the fluid tangential velocity. Such an increase in mathematical complexity is accompanied by a more challenging numerical transcription. The present work concerns with this topic, addressing the modeling of the slip velocity boundary condition in the lattice Boltzmann method (LBM) applied to steady slow viscous flows inside ducts of nontrivial shapes. As novelty, we extend the newly revised local second‐order boundary (LSOB) Dirichlet fluid flow method [ Philos. Trans. R. Soc. A 378, 20190404 (2020)] to implement the slip velocity condition within the two‐relaxation‐time (TRT) framework. The LSOB follows an in‐node philosophy where its operation principle seeks to explicitly reconstruct the unknown boundary populations in the form of a third‐order accurate Chapman–Enskog expansion, where the wall slip condition is built‐in as a normal Taylor‐type condition. The key point of this approach is that the required first‐ and second‐order momentum derivatives, rather than computed through nonlocal finite difference approximations, are locally determined through a simple local linear algebra procedure, whose formulation is particularly aided by the TRT symmetry argument. To express the obtained derivatives, two approaches are considered, called and , which operate with node and wall variables, respectively. These two formulations are developed to prescribe the physical slip condition over plane and curved walls, including the corners. Their consistency and accuracy characteristics are examined against alternative linkwise strategies to impose the wall slip velocity, such as the kinetic‐based diffusive bounce‐back scheme, the central linear interpolation slip scheme, and the multireflection slip scheme. The several slip schemes are tested over different 3D microchannel configurations, with walls not conforming with the LBM uniform mesh. Numerical tests confirm the advanced accuracy characteristics of the proposed LSOB slip boundary scheme, revealing the added challenge of the wall slip modeling, and that parabolic accuracy is a necessary requirement to reach second‐order accuracy within this problem class.

Silva, Goncalo↗
DOE OSTI2023

Enhancing Early Systems R&D Capabilities with Systems —Theoretic Process Analysis

Systems engineering today faces a wide array of challenges, ranging from new operational environments to disruptive technological — necessitating approaches to improve research and development (R&D) efforts. Yet, emphasizing the Aristotelian argument that the “whole is greater than the sum of its parts” seems to offer a conceptual foundation creating new R&D solutions. Invoking systems theoretic concepts of emergence and hierarchy and analytic characteristics of traceability, rigor, and comprehensiveness is potentially beneficial for guiding R&D strategy and development to bridge the gap between theoretical problem spaces and engineering-based solutions. In response, this article describes systems–theoretic process analysis (STPA) as an example of one such approach to aid in early-systems R&D discussions. STPA—a ‘top-down’ process that abstracts real complex system operations into hierarchical control structures, functional control loops, and control actions—uses control loop logic to analyze how control actions (designed for desired system behaviors) may become violated and drive the complex system toward states of higher risk. By analyzing how needed controls are not provided (or out of sequence or stopped too soon) and unneeded controls are provided (or engaged too long), STPA can help early-system R&D discussions by exploring how requirements and desired actions interact to either mitigate or potentially increase states of risk that can lead to unacceptable losses. This article will demonstrate STPA's benefit for early-system R&D strategy and development discussion by describing such diverse use cases as cyber security, nuclear fuel transportation, and US electric grid performance. Together, the traceability, rigor, and comprehensiveness of STPA serve as useful tools for improving R&D strategy and development discussions. In conclusion, leveraging STPA as well as related systems engineering techniques can be helpful in early R&D planning and strategy development to better triangulate deeper theoretical meaning or evaluate empirical results to better inform systems engineering solutions.

42 ENGINEERING↗
DOE OSTI2021

Observation of Quadratic (Charge-2) Weyl Point Splitting in Near-Infrared Photonic Crystals

Weyl points are point degeneracies that occur in momentum space of 3D periodic materials and are associated with a quantized topological charge. Here, the splitting of a quadratic (charge-2) Weyl point into two linear (charge-1) Weyl points in a 3D micro-printed photonic crystal is observed experimentally via Fourier-transform infrared spectroscopy. Using a theoretical analysis rooted in symmetry arguments, it is shown that this splitting occurs along high-symmetry directions in the Brillouin zone. This micro-scale observation and control of Weyl points is important for realizing robust topological devices in the near-infrared.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Analysis of sparse recovery for Legendre expansions using envelope bound

We provide novel sufficient conditions for the uniform recovery of sparse Legendre expansions using ℓ 1 minimization, where the sampling points are drawn according to orthogonalization (uniform) measure. So far, conditions of the form m ≳ Θ 2 s x log factors have been relied on to determine the minimum number of samples m that guarantees successful reconstruction of s-sparse vectors when the measurement matrix is associated to an orthonormal system. However, in case of sparse Legendre expansions, the uniform bound Θ of Legendre systems is so high that these conditions are unable to provide meaningful guarantees. Here, in this paper, we present an analysis which employs the envelop bound of all Legendre polynomials instead, and prove a new recovery guarantee for s-sparse Legendre expansions, m ≳ Θs 2 x log factors, which is independent of Θ. Arguably, this is the first recovery condition established for orthonormal systems without assuming the uniform boundedness of the sampling matrix. The key ingredient of our analysis is an extension of chaining arguments, recently developed in Bourgain and Chkifa et al., to handle the envelope bound. Furthermore, our recovery condition is proved via restricted eigenvalue property, a less demanding replacement of restricted isometry property which is perfectly suited to the considered scenario. Along the way, we derive simple criteria to detect good sample sets. Our numerical tests show that sets of uniformly sampled points that meet these criteria will perform better recovery on average.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Comment on Comment on “Anomalous structural recovery in the near glass transition range in a polymer glass: Data revisited in light of temperature variability in vacuum oven‐based experiments”*

Abstract Cangialosi, Alegría, and Colmenero have made a comment on a paper of ours [Polym. Eng. Sci. 2022:1–13], in which we discussed the concern that the enthalpy recovery data reported by Cangialosi and co‐workers [Phys. Rev. Lett. 2013;111(9):095701] for polystyrene aged up to 15 K below glass transition temperature was anomalous and contradicted existing experimental results from the literature over a similar range of aging conditions. Their response shifts the focus away from the raised questions about their experimental results and attempts to invalidate the data that we cited in support of our argument. Here we respond to the comment and add additional analysis that suggests the structural recovery response of glassy materials exhibits smooth behavior over the full range of measurements, up to 7 or 8 logarithmic decades. We do this by referring to the work on the intrinsic isotherm down‐jump and memory responses of poly(vinyl acetate) between 40°C and 15°C over six logarithmic decades by Kovacs [Fortsch. Hochpolym. Fo. 1963;3(1/2):394–508], the small‐strain tensile creep of poly(vinyl chloride) quenched from 90°C to 40°C (approximately 40°C below T g ) over seven logarithmic decades from Struik [Polym Eng. Sci., 1977;17:165–173], and the volume recovery behavior for aging times up to 3 months in a temperature range between 95°C and −50°C by Greiner and Schwarzl [Rheol. Acta. 1984;23(4):378–395]. We also add discussion that an isothermal aging procedure using a vacuum oven is highly vulnerable to temperature errors due to the problem of good temperature control when the heat transfer mechanism is primarily radiative.

Jin, Shuang↗
DOE OSTI2024

Investigation of thermal damage in explosive bridgewire detonators via discrete element method simulations

Exploding bridgewire (EBW) detonators are used to rapidly and reliably initiate energetic reactions by exploding a bridgewire via Joule heating. While the mechanisms of EBW detonators have been studied extensively in nominal conditions, comparatively few studies have addressed thermally damaged detonator operability. We present a mesoscale simulation study of thermal damage in a representative EBW detonator, using discrete element method (DEM) simulations that explicitly account for individual particles in the pressed explosive powder. We use a simplified model of melting, where solid spherical particles undergo uniform shrinking, and fluid dynamics are ignored. The subsequent settling of particles results in the formation of a gap between the solid powder and the bridgewire, which we study under different conditions. In particular, particle cohesion has a significant effect on gap formation and settling behavior, where sufficiently high cohesion leads to coalescence of particles into a free-standing pellet. This behavior is qualitatively compared to experimental visualization data, and simulations are shown to capture several key changes in pellet shape. We derive a minimum and maximum limit on gap formation during melting using simple geometric arguments. In the absence of cohesion, results agree with the maximum gap size. With increasing cohesion, the gap size decreases, eventually saturating at the minimum limit. In conclusion, we present results for different combinations of interparticle cohesion and detonator orientations with respect to gravity, demonstrating the complex behavior of these systems and the potential for DEM simulations to capture a range of scenarios.

cohesive powders↗
DOE OSTI2021

Approaching the self-dual point of the sinh-Gordon model

One of the most striking but mysterious properties of the sinh-Gordon model (ShG) is the b → 1/b self-duality of its S-matrix, of which there is no trace in its Lagrangian formulation. Here b is the coupling appearing in the model’s eponymous hyperbolic cosine present in its Lagrangian, cosh(bΦ). In this paper we develop truncated spectrum methods (TSMs) for studying the sinh-Gordon model at a finite volume as we vary the coupling constant. We obtain the expected results for b << 1 and intermediate values of b, but as the self-dual point b = 1 is approached, the basic application of the TSM to the ShG breaks down. We find that the TSM gives results with a strong cutoff Ec dependence, which disappears according only to a very slow power law in Ec. Standard renormalization group strategies — whether they be numerical or analytic — also fail to improve upon matters here. We thus explore three strategies to address the basic limitations of the TSM in the vicinity of b = 1. In the first, we focus on the small-volume spectrum. We attempt to understand how much of the physics of the ShG is encoded in the zero mode part of its Hamiltonian, in essence how ‘quantum mechanical’ vs ‘quantum field theoretic’ the problem is. In the second, we identify the divergencies present in perturbation theory and perform their resummation using a supra-Borel approximate. In the third approach, we use the exact form factors of the model to treat the ShG at one value of b as a perturbation of a ShG at a different coupling. In the light of this work, we argue that the strong coupling phase b > 1 of the Lagrangian formulation of model may be different from what is naïvely inferred from its S-matrix. In particular, we present an argument that the theory is massless for b > 1.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Celestial operator product expansions and w 1+∞ symmetry for all spins

The operator product expansion of massless celestial primary operators of arbitrary spin is investigated. Poincaré symmetry is found to imply a set of recursion relations on the operator product expansion coefficients of the leading singular terms at tree-level in a holomorphic limit. The symmetry constraints are solved by an Euler beta function with arguments that depend simply on the right-moving conformal weights of the operators in the product. These symmetry-derived coefficients are shown not only to match precisely those arising from momentum-space tree-level collinear limits, but also to obey an infinite number of additional symmetry transformations that respect the algebra of w 1+∞ . In tree-level minimally-coupled gravitational theories, celestial currents are constructed from light transforms of conformally soft gravitons and found to generate the action of w 1+∞ on arbitrary massless celestial primaries. Results include operator product expansion coefficients for fermions as well as those arising from higher-derivative non-minimal couplings of gluons and gravitons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A theory of dark pions

We present a complete model of a dark QCD sector with light dark pions, broadly motivated by hidden naturalness arguments. The dark quarks couple to the Standard Model via irrelevant Z- and Higgs-portal operators, which encode the low-energy effects of TeV-scale fermions interacting through Yukawa couplings with the Higgs field. The dark pions, depending on their CP properties, behave as either composite axion-like particles (ALPs) mixing with the Z or scalars mixing with the Higgs. The dark pion lifetimes fall naturally in the most interesting region for present and proposed searches for long-lived particles, at the LHC and beyond. This is demonstrated by studying in detail three benchmark scenarios for the symmetries and structure of the theory. Within a coherent framework, we analyze and compare the GeV-scale signatures of flavor-changing meson decays to dark pions, the weak-scale decays of Z and Higgs bosons to hidden hadrons, and the TeV-scale signals of the ultraviolet theory. New constraints are derived from B decays at CMS and from Z-initiated dark showers at LHCb, focusing on the displaced dimuon signature. We also emphasize the strong potential sensitivity of ATLAS and CMS to dark shower signals with large multiplicities and long lifetimes of the dark pions. As a key part of our phenomenological study, we perform a new data-driven calculation of the decays of a light ALP to exclusive hadronic Standard Model final states. The results are provided in a general form, applicable to any model with arbitrary flavor-diagonal couplings of the ALP to fermions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Inconsistency of islands in theories with long-range gravity

In ordinary gravitational theories, any local bulk operator in an entanglement wedge is accompanied by a long-range gravitational dressing that extends to the asymptotic part of the wedge. Islands are the only known examples of entanglement wedges that are disconnected from the asymptotic region of spacetime. In this paper, we show that the lack of an asymptotic region in islands creates a potential puzzle that involves the gravitational Gauss law, independently of whether or not there is a non-gravitational bath. In a theory with long-range gravity, the energy of an excitation localized to the island can be detected from outside the island, in contradiction with the principle that operators in an entanglement wedge should commute with operators from its complement. In several known examples, we show that this tension is resolved because islands appear in conjunction with a massive graviton. We also derive some additional consistency conditions that must be obeyed by islands in decoupled systems. Our arguments suggest that islands might not constitute consistent entanglement wedges in standard theories of massless gravity where the Gauss law applies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Generalization of QCD3 symmetry-breaking and flavored quiver dualities

We extend the recently proposed symmetry breaking scenario of QCD 3 to the so-called “master” (2 + 1)d bosonization duality, which has bosonic and fermionic matter on both ends. Using anomaly arguments, a phase diagram emerges with several novel regions. We then construct 2+1 dimensional dualities for flavored quivers using node-by-node dualization. Such dualities are applicable to theories which live on domain walls in QCD 4 -like theories with dynamical quarks. We also derive dualities for quivers based on orthogonal and symplectic gauge groups. Lastly, we support the conjectured dualities using holographic constructions, even though several aspects of this holographic construction remain mostly qualitative.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗