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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 OSTI2022

Modeling design and control problems involving neural network surrogates

Here, we consider nonlinear optimization problems that involve surrogate models represented by neural networks. We demonstrate first how to directly embed neural network evaluation into optimization models, highlight a difficulty with this approach that can prevent convergence, and then characterize stationarity of such models. We then present two alternative formulations of these problems in the specific case of feedforward neural networks with ReLU activation: as a mixed-integer optimization problem and as a mathematical program with complementarity constraints. For the latter formulation we prove that stationarity at a point for this problem corresponds to stationarity of the embedded formulation. Each of these formulations may be solved with state-of-the-art optimization methods, and we show how to obtain good initial feasible solutions for these methods. We compare our formulations on three practical applications arising in the design and control of combustion engines, in the generation of adversarial attacks on classifier networks, and in the determination of optimal flows in an oil well network.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Detection of early-universe gravitational-wave signatures and fundamental physics

Detection of a gravitational-wave signal of non-astrophysical origin would be a landmark discovery, potentially providing a significant clue to some of our most basic, big-picture scientific questions about the Universe. In this white paper, we survey the leading early-Universe mechanisms that may produce a detectable signal—including inflation, phase transitions, topological defects, as well as primordial black holes—and highlight the connections to fundamental physics. We review the complementarity with collider searches for new physics, and multimessenger probes of the large-scale structure of the Universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Renewable-Storage Hybrids in a Decarbonized Electricity Supply

We explore the potential impacts of growing industry interest in hybrid systems comprising PV and battery technologies on the results and findings of the Solar Futures Study (2021). Through comparison of Solar Futures Study scenarios with and without PV-battery hybrid configurations enabled (in the same grid planning model), we find that the highest net-value hybrid configuration depends strongly on power sector carbon policy, which increases the value of more forward-looking designs. While the availability of PV-battery hybrid configurations primarily displaces standalone PV and battery capacity, we find that it (a) increases solar's share of total capacity and generation and (b) reduces required transmission expansion and associated costs under scenarios that combine aggressive cost reductions and power sector decarbonization policy. Results will also be presented for the complementarity and economic value of wind-PV hybrids with varying amounts of energy storage.

complementarity↗
DOE OSTI2023

Simultaneous Improvements in Efficiency and Stability of Organic Solar Cells via a Symmetric‐Asymmetric Dual‐Acceptor Strategy

Abstract Simultaneously achieving improvements in power conversion efficiency (PCE) and stability is the main task of the current development stage of organic solar cells (OSCs). This work reports a symmetry–asymmetry dual‐acceptor (SADA) strategy to construct ternary devices, which is found to be feasible for increasing both the PCE and the operational lifetime of OSCs. In this contribution, the symmetric acceptor L8‐BO and the asymmetric acceptor BTP‐S9 are blended in equal proportions with polymer donor PM6 for the consideration of absorption spectrum complementarity and cascade energetic alignment. In addition, the features of crystallinity and miscibility of the dual‐acceptor deliver optimized morphology lead to a high PCE of 18.84%. In addition, the asymmetric acceptor BTP‐S9 with a larger dipole moment shows tighter molecular stacking and longer crystal correlation length, which favor intrinsic molecular photostability, and further consolidate the operational lifetime of OSCs when coordinated with L8‐BO. This work demonstrates the efficacy of the SADA strategy for constructing efficient and stable OSCs.

Chemistry↗
DOE OSTI2025

Catching Fullerenes: Synthesis of Molecular Nanogloves

Abstract Herein, we report the synthesis of a new series of rigid, all meta ‐phenylene, conjugated deep‐cavity molecules, displaying high binding affinity towards buckyballs. A facile synthetic approach with an overall combined yield of approximately 53% in the last two steps has been developed using a templating strategy that combines the general structure of resorcin[4]arene and [12]cyclo‐ meta ‐phenylene. These two moieties are covalently linked via four acetal bonds, resulting in a glove‐like architecture. 1 H NMR titration experiments reveal fullerene binding affinities ( K a ) exceeding ≥10 6 M −1 . The size complementarity between fullerenes and these scaffolds maximizes CH⋯π and π⋯π interactions, and their host:guest adduct resembles a ball in a glove, hence their name as nanogloves. Fullerene recognition is tested by suspending carbon soot in a solution of nanoglove in 1,1,2,2‐tetrachloroethane, where more than a dozen fullerenes are observed, ranging from C 60 to C 96 .

Mirzaei, Saber [Department of Chemistry Rice Unive↗
DOE OSTI2026

Supramolecular Arene‐Perfluoroarene Assembly Enhances Photoiniferter Polymerization Kinetics

Ultra-high-molecular-weight (UHMW, >106 Da) polymers have unique thermomechanical properties due to their large number of physical entanglements. Producing UHMW styrenic polymers is challenging because of their prohibitively slow homopolymerization kinetics. In this report, we show that alternating photoiniferter copolymerization between methoxy-functionalized styrenic monomers and pentafluorostyrene can circumvent this limitation under conditions where arene–perfluoroarene (AP) interactions contribute to favorable monomer association and accelerate copolymerization. Increasing methoxy substitution on the styrene arene ring leads to pronounced rate enhancements that correlate with electronic complementarity between the styrenic comonomers. Density functional theory calculations reveal increasingly favorable AP interaction energies across the series, consistent with monomer association contributing to faster propagation. The result is up to 2000% enhancement in propagation rate in copolymerizations compared to styrene homopolymerization. Despite these rate enhancements, the resulting materials retain broadly similar glass-transition temperatures and network-like thermomechanical behavior, with only modest softening across the series. Here, we then leverage the approach to produce UHMW trialkoxystyrene copolymers bearing sterically encumbered pendants, which are ultrasoft (Young's modulus of 8 kPa) and highly extensible (560%). These results establish that designed supramolecular association between styrenics is a powerful tool for controlling reactivity in radical polymerization and generating otherwise difficult-to-obtain materials.

Marquez, Joshua D. [University of Florida, Gainesv↗
DOE OSTI2022

Process-oriented stochastic perturbations applied to the parametrization of turbulence and shallow convection for ensemble prediction

Weather forecasting nowadays often requires some estimation of uncertainties associated with the output of meteorological models, in order to better inform decision making, especially in the context of intense weather events. Ensemble prediction systems provide such information through sets of possible scenarios which are designed to represent various uncertainty sources, including model uncertainties. A wide variety of methods have been proposed to estimate model uncertainties, among which perturbation methods targeting uncertain processes are a promising research field. Here, we focus on the representation of small-scale variability by process-oriented perturbation schemes applied to two key physical processes, namely turbulence and shallow convection. The perturbations are applied to a single-column version of the convection-permitting AROME model, in three idealized boundary-layer cases. Large-eddy simulations (LESs) of the same cases serve as a reference for the subgrid variability that has to be represented, and the results are also compared to those given by the Stochastically Perturbed Parametrization Tendencies (SPPT) method, which is a method commonly used by weather forecast centres to represent model uncertainty. The spread produced by our process-oriented perturbations of turbulence and shallow convection does not represent all the small-scale variability implied by the LESs for temperature and humidity. However, it is of a similar order of magnitude for the wind, thanks to perturbations generated by the stochastic turbulence scheme. The dispersion is structurally different from what is obtained with SPPT. It is non-negligible in the lower levels, where SPPT perturbations are usually suppressed because of numerical instabilities, indicating a possible complementarity between the schemes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Combination of searches for heavy spin-1 resonances using 139 fb -1 of proton-proton collision data at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A combination of searches for new heavy spin-1 resonances decaying into different pairings of W, Z, or Higgs bosons, as well as directly into leptons or quarks, is presented. The data sample used corresponds to 139 fb -1 of proton-proton collisions at $\sqrt{s}$ = 13 TeV collected during 2015–2018 with the ATLAS detector at the CERN Large Hadron Collider. Analyses selecting quark pairs (qq, bb, $t\overline{t}$, and tb) or third-generation leptons (τν and ττ) are included in this kind of combination for the first time. A simplified model predicting a spin-1 heavy vector-boson triplet is used. Cross-section limits are set at the 95% confidence level and are compared with predictions for the benchmark model. These limits are also expressed in terms of constraints on couplings of the heavy vector-boson triplet to quarks, leptons, and the Higgs boson. The complementarity of the various analyses increases the sensitivity to new physics, and the resulting constraints are stronger than those from any individual analysis considered. The data exclude a heavy vector-boson triplet with mass below 5.8 TeV in a weakly coupled scenario, below 4.4 TeV in a strongly coupled scenario, and up to 1.5 TeV in the case of production via vector-boson fusion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Constraining non-standard neutrino interactions with neutral current events at long-baseline oscillation experiments

We explore, for the first time, neutral-curren t events at long-baseline experiments to constrain vector and axial-vector neutrino non-standard interactions (NSI) with quarks. We leverage the flavor dependence of NSIs to perform an oscillation analysis in the neutral- current channel. We first introduce a framework to parametrize the effect of NSI on the cross section. Then, as an example, we analyze NOvA neutral-current data which provides significantly improved constraints on the axial-vector NSI parameters ${\varepsilon}_{\mu \mu}^A$, ${\varepsilon}_{\tau \tau}^A$ and ${\varepsilon}_{e\mu}^A$. This is highly complementary to constraints from SNO data, which, differently from long-baseline neutral current data, is not sensitive to isospin conserving NSIs ${\varepsilon}_u^A$ = ${\varepsilon}_d^A$. Additionally, we disfavor large values of the diagonal vectorial NSI ${\varepsilon}_{\mu \mu}^{VV}$ and ${\varepsilon}_{\tau \tau}^V$ which originate from the LMA-Dark solution. We also highlight the complementarity between NSI searches at oscillation experiments using charged current and neutral current channels.

neutrino interactions↗
DOE OSTI2022

Complementary signals of lepton flavor violation at a high-energy muon collider

A muon collider would be a powerful probe of flavor violation in new physics. There is a strong complementary case for collider measurements and precision low-energy probes of lepton flavor violation (as well as CP violation). We illustrate this by studying the collider reach in a supersymmetric scenario with flavor-violating slepton mixing. We find that the collider could discover sleptons and measure the slepton and neutralino masses with high precision, enabling event reconstruction that could cleanly separate flavor-violating new physics signals from Standard Model backgrounds. The discovery reach of a high-energy muon collider would cover a comparably large, and overlapping, range of parameter space to future μ → e conversion and electron EDM experiments, and unlike precision experiments could immediately shed light on the nature of new physics responsible for flavor violation. This complementarity strengthens the case that a muon collider could be an ideal energy-frontier laboratory in the search for physics beyond the Standard Model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Precision electroweak tensions and a dark photon

We examine how different assumptions about the hadronic vacuum polarization, the W boson mass, and the forward-backward asymmetry in b-quarks at the Z pole can impact the precision electroweak fit. We study the implications for a kinetically mixed dark photon, addressing the complementarity of precision bounds and direct searches, particularly in the case where the dark photon can decay into the dark sector, and we consider implications for future Large Hadron Collider searches. We comment on cases where the precision effects of the dark photon may not be well-described by the oblique parameters.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Probing lepton flavor violation at Circular Electron-Positron Colliders

Lepton flavor violation is one of the cleanest probes of physics beyond the standard model. In this work, we explore the sensitivity of the process e + e – → τμ to new physics above the TeV scale at the proposed circular electron-positron colliders FCC-ee and CEPC. We compute the e + e – → τμ cross-section in the Standard Model Effective Field Theory and assess the relevant backgrounds. We compare our sensitivity projections to existing and expected constraints from tau decays and Z decays and find that the future electron-positron colliders provide competitive probes of new physics. We highlight the complementarity of searches for resonant e + e – → Z → τμ production on the Z pole and searches for non-resonant e + e – → τμ at higher center-of-mass energies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Shocks and information exchange in de Sitter space

We discuss some implications of recent progress in understanding the black hole information paradox for complementarity in de Sitter space. Extending recent work by two of the authors, we describe a bulk procedure that allows information expelled through the cosmological horizon to be received by an antipodal observer. Generically, this information transfer takes a scrambling time t=H- 1 (S ds ). We emphasize that this procedure relies crucially on selection of the Bunch-Davies vacuum state, interpreted as the thermofield double state that maximally entangles two antipodal static patches. The procedure also requires the presence of an (entangled) energy reservoir, created by the collection of Hawking modes from the cosmological horizon. We show how this procedure avoids a cloning paradox and comment on its implications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Probing extended scalar sectors with precision e + e - → Zh and Higgs diphoton studies

We compute the one-loop corrections to σ(e + e - → Zh) arising from representative extended Standard Model scalar sector scenarios. According to the new scalar SU(2)L representations, we consider the inert doublet, real and complex triplet, quintuplet, and septuplet models. With the sub-percent level precision expected for prospective future e + e - collider measurements of σ(e + e - → Zh), studies of the Higgsstrahlung process will probe extended scalar sector particle spectrum and interactions in a manner complementary to direct searches at the Large Hadron Collider and possible future pp colliders. We also compare with the sensitivity of future Higgs diphoton decay rate measurements. We find that the σ(e + e - → Zh) and Γ(h → γγ) complementarity is particularly pronounced for the complex triplet model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Islands far outside the horizon

Information located in an entanglement island in semiclassical gravity can be nonperturbatively reconstructed from distant radiation, implying a radical breakdown of effective field theory. We show that this occurs well outside of the black hole stretched horizon. We compute the island associated to large-angular momentum Hawking modes of a four-dimensional Schwarzschild black hole. These modes typically fall back into the black hole but can be extracted to infinity by relativistic strings or, more abstractly, by asymptotic boundary operators constructed using the timelike tube theorem. Remarkably, we find that their island can protrude a distance of order $\sqrt{\ell_p{r}_{\textrm{hor}}}$ outside the horizon. This is parametrically larger than the Planck scale ℓ p and is comparable to the Bohr radius for supermassive black holes. Therefore, in principle, a distant observer can determine experimentally whether the black hole information paradox is resolved by complementarity, or by a firewall.

AdS-CFT correspondence↗
DOE OSTI2022

Forecasting dark showers at Belle II

Dark showers from strongly interacting dark sectors that confine at the GeV scale can give rise to novel signatures at e + e - colliders. In this work, we study the sensitivity of B factory experiments to dark showers produced through an effective interaction arising from a heavy off-shell mediator. We show that a prospective search for displaced vertices from GeV-scale long-lived particles at Belle II can improve the sensitivity to dark showers substantially compared to an existing search at BaBar. We compare the sensitivity of searches for displaced signals to searches for promptly produced resonances at BaBar and KLOE and calculate sensitivity projections for a single-photon search at Belle II to invisible dark showers produced through an effective interaction. The underlying structure of the effective interaction can be resolved at higher-energy experiments, where the mediator can be produced on-shell. To study the resulting constraints, we update electroweak precision bounds on kinetically mixed Z' bosons and reinterpret a search for low-mass di-muon resonances at LHCb in terms of dark showers. We find that LHCb and Belle II are most sensitive to different particle decay lengths, underscoring the complementarity of LHC and intensity frontier experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Fundamental complement of a gravitating region

Any gravitating region a in any spacetime gives rise to a generalized entanglement wedge, the hologram e(a). Holograms exhibit properties expected of fundamental operator algebras, such as strong subadditivity, nesting, and no-cloning. But the entanglement wedge EW of an AdS boundary region B with commutant $\overline{B}$ satisfies an additional condition, complementarity: EW (B) is the spacelike complement of EW ($\overline{B}$) in the bulk. Here we identify an analogue of the boundary commutant $\overline{B}$ in general spacetimes: given a gravitating region a, its fundamental complement is the smallest wedge that contains all infinite world lines contained in the spacelike complement a' of a. We refine the definition of e(a) by requiring that it be spacelike to $\tilde{a}$. We prove that e(a) is the spacelike complement of e($\tilde{a}$) when the latter is computed in a'. We exhibit many examples of and of e(a) in de Sitter, flat, and cosmological spacetimes. Here, we find that a Big Bang cosmology (spatially closed or not) is trivially reconstructible: the whole universe is the entanglement wedge of any wedge inside it. But de Sitter space is not trivially reconstructible, despite being closed. We recover the AdS/CFT prescription by proving that EW (B) = e(causal wedge of B).

Bousso, Raphael [University of California, Berkele↗
DOE OSTI2022

CLARIFYING THE NEXUS BETWEEN LIFE CYCLE ASSESSMENT AND CIRCULARITY INDICATORS: A SETAC/ACLCA INTEREST GROUP

Purpose Improving the circularity of resources is important to the sustainability of consumer goods. Current research has indicated that circularity practices and circular economy (CE) methods do not always reduce environmental impacts. The aim of this research is to investigate the adoption of the life cycle assessment (LCA) methodology to improve the environmental impacts of circularity practices. Methods As part of the Society for Environmental Toxicology And Chemistry (SETAC) forum, an interest group (IG) on Circularity and LCA was formed in partnership with the American Center for Life Cycle Assessment (ACLCA) to tackle methodological and technical issues related to circularity in LCA. The IG’s research approach is summarized in four key steps: defining goals and objectives, literature review and gap analysis, ideation, and experimentation. The twelve active persons within this IG meet monthly and have been divided into four sub-working groups (sub-WGs) so that complementary tasks can be completed concurrently in an effective manner. Each sub-WG meets monthly and reports back to the main group for collaboration and brainstorming to meet the research objectives. Results and discussion First, the sub-WG #1, focusing on the “pool of circularity and LCA-based indicators”, analyzed the complementarity between two of the most used circularity indicators and LCA. Second, the sub-WG #2, working on the “evaluation of CE loops performance through LCA”, built a mind map of pain points that reflect the challenges that the LCA practitioners face when combining LCA with CE approaches. Third, the sub-WG #3, dealing with the “trade-offs between circularity and sustainability”, highlighted key alignments and/or conflicts between circularity and sustainability performance depending on the scope, product, industry, or system of analysis. Fourth, the sub-WG #4, focusing on “business and industrial cases”, plans to leverage the knowledge base developed within this IG to develop use cases documenting the benefits and challenges associated with CE-related loops modeling in LCA. Conclusions The first findings of this SETAC/ACLCA IG provide a state-of-the-art overview of the synergists of LCA methodology and the CE measurement frameworks reported in the literature. To move forward and capitalize on the first findings, one valuable point will be to discuss and provide concrete solutions to the pain points that emerged when considering circularity in LCA. Eventually, the knowledge base and resources created within this IG ultimately aim to support the proper application of LCA for practitioners in CE contexts, and could provide relevant inputs for the ISO Technical Committee ISO/TC 323 working on the upcoming standard for the measurement of CE performance.

Life cycle assessment, circular economy, circulari↗