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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Collider signatures of flavorful Higgs bosons

Motivated by our limited knowledge of the Higgs couplings to the first two generation fermions, we analyze the collider phenomenology of a class of two Higgs doublet models (2HDMs) with a nonstandard Yukawa sector. One Higgs doublet is mainly responsible for the masses of the weak gauge bosons and the third-generation fermions, while the second Higgs doublet provides mass for the lighter fermion generations. The characteristic collider signatures of this setup differ significantly from well-studied 2HDMs with natural flavor conservation, flavor alignment, or minimal flavor violation. New production mechanisms for the heavy scalar, pseudoscalar, and charged Higgs involving second-generation quarks can become dominant. The most interesting decay modes include H/A → cc,tc,μμ,τμ and H ± → cb,cs,μν. As a result, searches for low-mass dimuon resonances are currently among the best probes of the heavy Higgs bosons in this setup.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Asymmetric Character of the Ferroelectric Phase Transition and Charged Domain Walls in a Hybrid Improper Ferroelectric

Abstract In improper ferroelectrics, the spontaneous ordering is typically driven by a structural distortion or a magnetic spin alignment. The induced electric polarization is only a secondary effect. This dependence is a rich source for unusual phenomena and ferroelectric domain configurations for proper, polarization‐driven ferroelectrics. This study focuses on the polar domain structure and the hysteretic behavior at the ferroelectric phase transition in Ca 3 Mn 1.9 Ti 0.1 O 7 as a representative of the recently discovered hybrid improper ferroelectric class of multiferroics. Combining optical second harmonic generation and Raman spectroscopy gives access to the spontaneous structural distortion and the resulting improper electric polarization. This study shows that hybrid improper ferroelectrics contrast proper and improper ferroelectrics in several ways. Most intriguingly, adjacent ferroelectric domains favor head‐to‐head and tail‐to‐tail domain walls over charge‐neutral configurations. Furthermore, the phase transition occurs in an asymmetric fashion. The regime of phase coexistence of the nonpolar and polar phases shows a clear and abrupt upper temperature limit. In contrast, the coexistence toward low temperatures is best described as a fade‐out process, where 100‐nm‐sized islands of the nonpolar phase expand deep into the polar phase.

36 MATERIALS SCIENCE↗
DOE OSTI2015

High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System

Solar photoelectrochemical generation of fuel is a promising energy technology yet the lack of an efficient, robust photoanode remains a primary materials challenge in the development and deployment of solar fuels generators. Metal oxides comprise the most promising class of photoanode materials, but no known material meets the demanding requirements of low band gap energy, photoelectrocatalysis of the oxygen evolution reaction, and stability under highly oxidizing conditions. Here, we report the identification of new photoelectroactive materials through a strategic combination of combinatorial materials synthesis, high-throughput photoelectrochemistry, optical spectroscopy, and detailed electronic structure calculations. We identify 4 photoelectrocatalyst phases - α-Cu 2 V 2 O 7 , β-Cu 2 V 2 O 7 , γ-Cu 3 V 2 O 8 , and Cu 11 V 6 O 26 - with band gap energy at or below 2 eV. The photoelectrochemical properties and 30-minute stability of these copper vanadate phases are demonstrated in 3 different aqueous electrolytes (pH 7, pH 9, and pH 13), with select combinations of phase and electrolyte exhibiting unprecedented photoelectrocatalytic stability for metal oxides with sub-2 eV band gap. Through integration of experimental and theoretical techniques, we determine new structure-property relationships and establish CuO-V 2 O 5 as the most prominent composition system for OER photoelectrocatalysts, providing crucial information for materials genomes initiatives and paving the way for continued development of solar fuels photoanodes.

14 SOLAR ENERGY↗
DOE OSTI2015

Development of epitaxial Al x Sc 1-x N for artificially structured metal/semiconductor superlattice metamaterials

Epitaxial nitride rocksalt metal/semiconductor superlattices are emerging as a novel class of artificially structured materials that have generated significant interest in recent years for their potential application in plasmonic and thermoelectric devices. Though most nitride metals are rocksalt, nitride semiconductors in general have hexagonal crystal structure. We report rocksalt aluminum scandium nitride (Al,Sc)N alloys as the semiconducting component in epitaxial rocksalt metal/semiconductor superlattices. The Al x Sc 1-x N alloys when deposited directly on MgO substrates are stabilized in a homogeneous rocksalt (single) phase when x < 0.51. Employing 20 nm TiN as a seed layer on MgO substrates, the homogeneity range for stabilizing the rocksalt phase has been extended to x < 0.82 for a 120 nm film. The rocksalt Al x Sc 1-x N alloys show moderate direct bandgap bowing with a bowing parameter, B = 1.41 ± 0.19 eV. The direct bandgap of metastable rocksalt AlN is extrapolated to be 4.70 ± 0.20 eV. The tunable lattice parameter, bandgap, dielectric permittivity, and electronic properties of rocksalt Al x Sc 1-x N alloys enable high quality epitaxial rocksalt metal/Al x Sc 1-x N superlattices with a wide range of accessible metamaterials properties.

36 MATERIALS SCIENCE↗
DOE OSTI2014

New solutions with accelerated expansion in string theory

We present concrete solutions with accelerated expansion in string theory, requiring a small, tractable list of stress energy sources. We explain how this construction (and others in progress) evades previous no go theorems for simple accelerating solutions. Our solutions respect an approximate scaling symmetry and realize discrete sequences of values for the equation of state, including one with an accumulation point at w = –1 and another accumulating near w = –1/3 from below. In another class of models, a density of defects generates scaling solutions with accelerated expansion. Here, we briefly discuss potential applications to dark energy phenomenology, and to holography for cosmology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

A Borcherds–Kac–Moody Superalgebra with Conway Symmetry

We construct here a Borcherds–Kac–Moody (BKM) superalgebra on which the Conway group \(\hbox {Co}_0\) acts faithfully. We show that the BKM algebra is generated by the physical states (BRST cohomology classes) in a chiral superstring theory. Furthermore, we use this construction to produce denominator identities for the chiral partition functions of the Conway module \(V^{s\natural }\) , a supersymmetric \(c=12\) chiral conformal field theory whose (twisted) partition functions enjoy moonshine properties and which has automorphism group isomorphic to \(\hbox {Co}_0\) . In particular, these functions satisfy a genus zero property analogous to that of monstrous moonshine. Finally, we suggest how one may promote the denominators to spacetime BPS indices in type II string theory, which might thus furnish a physical explanation of the genus zero property of Conway moonshine.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Local indistinguishability and incompleteness of entangled orthogonal bases: Method to generate two-element locally indistinguishable ensembles

Highlights: • Local indistinguishability of orthogonal quantum states. • Bipartite and multipartite quantum ensembles. • Unextendible entangled bases and uncompletable entangled bases. • Two-element locally indistinguishable quantum ensembles. • Multiparty unextendible entangled bases with unextendibility in all partitions. We relate the phenomenon of local indistinguishability of orthogonal states with the properties of unextendibility and uncompletability of entangled bases for bipartite and multipartite quantum systems. We prove that all two-qubit unextendible entangled bases are of size three and they cannot be perfectly distinguished by separable measurements. We identify a method of constructing two-element orthogonal ensembles, based on the concept of unextendible entangled bases, that can potentially lead to information sharing applications. Two-element ensembles form the fundamental unit of ensembles, and yet does not offer locally indistinguishable ensembles for pure state elements. Going over to mixed states does open this possibility, but can be difficult to identify. The method provided using unextendible entangled bases can be used for their systematic generation. In multipartite systems, we find a class of unextendible entangled bases for which the unextendibility property remains conserved across all bipartitions. We also identify nonlocal operations, local implementation of which require entangled resource states from a higher-dimensional quantum system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

RF design of APEX2 two-cell continuous-wave normal conducting photoelectron gun cavity based on multi-objective genetic algorithm

High brightness, high repetition rate electron beams are key components for optimizing the performance of next generation scientific instruments, such as MHz-class X-ray Free Electron Laser (XFEL) and Ultra-fast Electron Diffraction/Microscopy (UED/UEM). In the Advanced Photo-injector EXperiment (APEX)at Berkeley Lab, a photoelectron gun based on a 185.7 MHz normal conducting re-entrant RF cavity, has been proven to be a feasible solution to provide high brightness, high repetition rate electron beam for both XFEL and UED/UEM. Based on the success of APEX, a new electron gun system, named APEX2, has been under development to further improve the electron beam brightness. For APEX2, we have designed a new 162.5 MHz two-cell photoelectron gun and achieved a significant increase on the cathode launching field and the beam exit energy. For a fixed charge per bunch, these improvements will allow for the emittance reduction and hence to an increased beam brightness. The design of APEX2 gun cavity is a complex problem with multiple design goals and restrictions, some even competing each other. In conclusion, for a systematic and comprehensive search for the optimized cavity geometry, we have developed and implemented a novel optimization method based on the Multi-Objective Genetic Algorithm (MOGA).

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Networks and interfaces as catalysts for polymer materials innovation

Autonomous experimental systems offer a compelling glimpse into a future where closed-loop, iterative cycles—performed by machines and guided by artificial intelligence (AI) and machine learning (ML)—play a foundational role in materials research and development. This perspective draws attention to the roles of networks and interfaces—of and between humans and machines—for the purpose of generating knowledge and accelerating innovation. Polymers, a class of materials with massive global impact, present a unique opportunity for the application of informatics and automation to pressing societal challenges. To develop these networks and interfaces in polymer science, the Community Resource for Innovation in Polymer Technology (CRIPT)—a polymer data ecosystem based on novel polymer data model, representation, search, and visualization technologies—is introduced. The ongoing co-design efforts engage stakeholders in industry, academia, and government to uncover rapidly actionable, high-impact opportunities to build networks, bridge interfaces, and catalyze innovation in polymer technology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Air-Stable CuInSe 2 Nanocrystal Transistors and Circuits via Post-Deposition Cation Exchange

Colloidal semiconductor nanocrystals (NCs) are a promising materials class for solution-processable, next-generation electronic devices. However, most high-performance devices and circuits have been achieved using NCs containing toxic elements, which may limit their further device development. In this work, we fabricate high mobility CuInSe 2 NC field-effect transistors (FETs) using a solution-based, post-deposition, sequential cation exchange process that starts with electronically coupled, thiocyanate (SCN)-capped CdSe NC thin films. First Cu + is substituted for Cd 2+ transforming CdSe NCs to Cu-rich Cu 2 Se NC films. Next, Cu 2 Se NC films are dipped into a Na 2 Se solution to Se-enrich the NCs, thus compensating the Cu-rich surface, promoting fusion of the Cu 2 Se NCs, and providing sites for subsequent In-dopants. The liquid-coordination-complex trioctylphosphine–indium chloride (TOP–InCl 3 ) is used as a source of In 3+ to partially exchange and n -dope CuInSe 2 NC films. We demonstrate Al 2 O 3 -encapsulated, air-stable CuInSe 2 NC FETs with linear (saturation) electron mobilities of 8.2 ± 1.8 cm 2 /(V s) (10.5 ± 2.4 cm2/(V s)) and with current modulation of 10 5 , comparable to that for high-performance Cd-, Pb-, and As-based NC FETs. The CuInSe 2 NC FETs are used as building blocks of integrated inverters to demonstrate their promise for low-cost, low-toxicity NC circuits.

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

A microscopic Kondo lattice model for the heavy fermion antiferromagnet CeIn 3

Electrons at the border of localization generate exotic states of matter across all classes of strongly correlated electron materials and many other quantum materials with emergent functionality. Heavy electron metals are a model example, in which magnetic interactions arise from the opposing limits of localized and itinerant electrons. This remarkable duality is intimately related to the emergence of a plethora of novel quantum matter states such as unconventional superconductivity, electronic-nematic states, hidden order and most recently topological states of matter such as topological Kondo insulators and Kondo semimetals and putative chiral superconductors. The outstanding challenge is that the archetypal Kondo lattice model that captures the underlying electronic dichotomy is notoriously difficult to solve for real materials. Here we show, using the prototypical strongly-correlated antiferromagnet CeIn 3 , that a multi-orbital periodic Anderson model embedded with input from ab initio bandstructure calculations can be reduced to a simple Kondo-Heisenberg model, which captures the magnetic interactions quantitatively. We validate this tractable Hamiltonian via high-resolution neutron spectroscopy that reproduces accurately the magnetic soft modes in CeIn 3 , which are believed to mediate unconventional superconductivity. Our study paves the way for a quantitative understanding of metallic quantum states such as unconventional superconductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Composition design of high-entropy alloys with deep sets learning

High entropy alloys (HEAs) are an important material class in the development of next-generation structural materials, but the astronomically large composition space cannot be efficiently explored by experiments or first-principles calculations. Machine learning (ML) methods might address this challenge, but ML of HEAs has been hindered by the scarcity of HEA property data. In this work, the EMTO-CPA method was used to generate a large HEA dataset (spanning a composition space of 14 elements) containing 7086 cubic HEA structures with structural properties, 1911 of which have the complete elastic tensor calculated. The elastic property dataset was used to train a ML model with the Deep Sets architecture. The Deep Sets model has better predictive performance and generalizability compared to other ML models. Association rule mining was applied to the model predictions to describe the compositional dependence of HEA elastic properties and to demonstrate the potential for data-driven alloy design.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Co-intercalation-free ether electrolytes for graphitic anodes in lithium-ion batteries

Carbonate-based electrolytes are widely used in Li-ion batteries but are limited by a small operating temperature window and poor cycling with silicon-containing graphitic anodes. The lack of non-carbonate electrolyte alternatives such as ether-based electrolytes is due to undesired solvent co-intercalation that occurs with graphitic anodes. Here, we show that fluoroethers are the first class of ether solvents to intrinsically support reversible lithium-ion intercalation into graphite without solvent co-intercalation at conventional salt concentrations. In full cells using a graphite anode, they enable 10-fold higher energy densities compared to conventional ethers, and better thermal stability over carbonate electrolytes (operation up to 60 °C) by producing a robust solvent-derived solid electrolyte interphase (SEI). As single-solvent–single-salt electrolytes, they remarkably outperform carbonate electrolytes with fluoroethylene carbonate (FEC) and vinylene carbonate (VC) additives when cycled with graphite–silicon composite anodes. In conclusion, our molecular design strategy opens a new class of electrolytes that can enable next generation Li-ion batteries with higher energy density and a wider working temperature window.

25 ENERGY STORAGE↗
DOE OSTI2015

Covariant spectator theory of np scattering: Deuteron quadrupole moment

The deuteron quadrupole moment is calculated using two CST model wave functions obtained from the 2007 high precision fits to np scattering data. Included in the calculation are a new class of isoscalar np interaction currents automatically generated by the nuclear force model used in these fits. The prediction for model WJC-1, with larger relativistic P-state components, is 2.5% smaller that the experiential result, in common with the inability of models prior to 2014 to predict this important quantity. However, model WJC-2, with very small P-state components, gives agreement to better than 1%, similar to the results obtained recently from X EFT predictions to order N 3 LO.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Connecting pseudo-Nambu-Goldstone dark matter with pseudo-Dirac neutrinos in a left-right symmetry model

Stringent constraints from the dark matter (DM) direct detection experiments can be naturally evaded for a pseudo-Nambu-Goldstone boson (pNGB) DM. We propose a realization of pNGB DM in the context of a left-right symmetric model, wherein the neutrinos are pseudo-Dirac in nature. The Dirac mass term for neutrinos arises from two-loop quantum corrections, whereas the Majorana mass terms are generated from Planck-induced corrections. This class of model also provides a parity solution to the strong C P problem without the need for an axion. We show an interesting correlation between the lifetime of the DM and the mass-squared differences between active and sterile neutrinos while maintaining a solution to the strong C P problem. Published by the American Physical Society 2025

Biswas, Sumit (ORCID:0009000561143501)↗
DOE OSTI2014

Overcoming Technical Challenges and Moving into the Future with Laser Glass

The long‐term commercial potential for solid‐state laser gain materials based on glass has only been possible by constant technological developments that have overcome otherwise “market lethal” performance and cost issues. We will discuss a few examples that resulted in the development of completely new manufacturing processes that expanded the laser glass operation window and made possible the construction of large laser systems such as the National Ignition Facility in the United States and the French Laser Mégajoule. In parallel, through compositional modifications and identification of special postprocessing treatments, new active glasses with tailored properties have been continuously developed for specific laser architectures. We will also discuss current research activity directed at finding customized laser glass compositions for the next generation of high‐peak‐power (e.g., Exawatt class) laser systems.

Hayden, Joseph S.↗
DOE OSTI2016

SU-G-201-04: Can the Dynamic Library of Flap Applicators Replace Treatment Planning in Surface Brachytherapy?

Purpose: Contemporary brachytherapy treatment planning systems-(TPS) include the applicator model libraries to improve digitization; however, the library of surface-flap-applicators-(SFA) is not incorporated into the commercial TPS. We propose the dynamic library-(DL) for SFA and investigate if such library can eliminate applicator reconstruction, source activation and dose normalization. Methods: DL was generated for the SFA using the C++class libraries of the Visualization Toolkit-(VTK) and Qt-application framework for complete abstraction of the graphical interface. DL was designed such that the user can initially choose the size of the applicator that corresponds to the one clinically placed to the patient. The virtual applicator-(VA) has an elastic property so that it can be registered to the clinical CT images with a real applicator-(RA) on it. The VA and RA matching is performed by adjusting the position and curvature of the VA. The VA does not elongate or change its size so each catheter could always be at a distance of 5mm from the skin and 10mm apart from the closest catheter maintaining the physical accuracy of the clinical setup. Upon the applicator placement, the dwell positions were automatically activated, and the dose is normalized to the prescription depth. The accuracy of source positioning was evaluated using various applicator sizes. Results: The accuracy of the applicator placement was in the sub-millimeter range. The time-study reveals that up to 50% of the planning time can be saved depending on the complexity of the clinical setup. Unlike in the classic approach, the planning time was not highly dependent on the applicator size. Conclusion: The practical benefits of the DL of the SFA were demonstrated. The time demanding planning processes can be partially automated. Consequently, the planner can dedicate effort to fine tuning, which can result in the improvement of the quality of treatment plans in surface brachytherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

sourcePy

Pollutant source identification techniques (of which there are many variations) are either locked behind researchers writing their own code for each use case or GUI platforms that are easy to use but inflexible and opaque. The Python package sourcePy brings together many of the pollutant source identification algorithms, giving the user full control out of the box. It aims to create a platform for source identification experiments where the full analysis from beginning to end can be done in Python, with a level of specificity in design that isn't available in the GUI options. sourcePy provides users with a few key features: -A Python interface with HYSPLIT, which can be used to generate trajectories and concentration plumes -Several Python classes which standardize the preparation and processing of data related to source identification experiments -Example scripts and notebooks that allow even new python users to get started with their own experiments quickly -Visualization methods

Arseneau, Isaac [Oak Ridge National Laboratory (OR↗