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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Distinctive structural basis for DNA recognition by the fission yeast Zn 2 Cys 6 transcription factor Pho7 and its role in phosphate homeostasis

Pho7, a member of the Zn 2 Cys 6 family of fungal transcription factors, is the key transcriptional activator underlying fission yeast phosphate homeostasis, a physiological response to phosphate starvation in which the pho1, pho84 and tgp1 genes are upregulated. Here, we delineated a minimized 61-amino-acid Pho7 DNA-binding domain (DBD) and determined the 1.7 Å crystal structure of the DBD at its target site in the tgp1 promoter. Two distinctive features of the Pho7 DBD are: it binds DNA as a monomer, unlike most other fungal zinc-cluster factors that bind as homodimers; and it makes extensive interactions with its asymmetric target sequence over a 14-bp footprint that entails hydrogen bonding to 13 individual bases within, and remote from, the CGG triplet typically recognized by other Zn 2 Cys 6 DBDs. Base pair substitutions at Pho7 sites in the tgp1 and pho1 promoters highlight the importance of the 5'-CGG triplet for Pho7 binding in vitro and Pho7-dependent gene expression in vivo. We identify several DBD amino acids at which alanine substitution effaced or attenuated the pho1 phosphate starvation response and concordantly reduced Pho7 binding to a pho1 promoter site.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Variable optical properties of light-harvesting complex II revisited

Understanding photosynthetic light harvesting requires knowledge of the molecular mechanisms that dissipate excess energy in thylakoids. However, it remains unclear how the physical environment of light-harvesting complex II (LHCII) influences the process of chlorophyll de-excitation. Here, we demonstrate that protein-protein interactions between LHCIIs affect the optical properties of LHCII and thus influence the total energy budget. Aggregation of LHCII in the dark altered its absorption properties, independent of the amount of prior light exposure. We also revisited the triplet excited state involved in light-induced fluorescence quenching and found another relaxation pathway involving emission in the green region, which might be related to triplet excited energy transfer to neighboring carotenoids and annihilation processes that result in photoluminescence. LHCII- containing liposomes with different protein densities exhibited altered fluorescence and scattering properties. Our results suggest that macromolecular reorganization affects overall optical properties, which need to be addressed to compare the level of energy dissipation.

Iwai, Masakazu↗
DOE OSTI2025

Localized triplons and site stuffing in the quantum dimer magnet BiYbGeO5

Thermodynamic and muon spin relaxation measurements have recently highlighted BiYbGeO5 as a new example of a rare-earth-based quantum dimer magnet with isolated Yb3+ spin-1/2 dimers. However, direct spectroscopic evidence of the triplet excitations and measurements of the structural disorder are lacking. In this work, polycrystalline BiYbGeO5 was synthesized using conventional high-temperature solid-state methods and investigated via high-resolution neutron powder diffraction and inelastic neutron scattering. Diffraction measurements down to 58 mK reveal no signatures of magnetic order and indicate that nearly 20% of Yb3+ sites are replaced by nonmagnetic Bi3+, introducing significant structural disorder. Inelastic neutron scattering shows dispersionless triplon excitations, consistent with localized, noninteracting spin dimers. Fits to the triplet excitation spectrum with an XXZ-type anisotropic exchange give 𝐽XX=0.100⁢(1)⁢meV and 𝐽Z=0.202⁢(1)⁢meV. These findings establish BiYbGeO5 as a structurally disordered but magnetically well-isolated quantum dimer system, providing a model platform for studying the resilience of entangled spin states to site dilution.

Kapoor, Rachit [Brock University, Canada]↗
DOE OSTI2021

Reentrant superconductivity through a quantum Lifshitz transition in twisted trilayer graphene

A series of recent experiments has demonstrated robust superconductivity in magic-angle twisted trilayer graphene (TTG). In particular, a recent work by Cao et al. [Nature (London) 595, 526 (2021)] studies the behavior of the superconductor in an in-plane magnetic field and an out-of-plane displacement field, finding that the superconductor is unlikely to have purely spin-singlet pairing. Herein, this work also finds that at high magnetic fields and a smaller range of dopings and displacement fields, the superconductor undergoes a transition to a distinct field-induced superconducting state. Inspired by these results, we develop an understanding of the superconductivity in TTG using a combination of phenomenological reasoning and microscopic theory. We describe the role that an in-plane field plays in TTG, and we use this understanding to argue that the reentrant transition may be associated with a quantum Lifshitz phase transition, with the high-field phase possessing finite-momentum pairing. We argue that the superconductor is likely to involve a superposition of singlet and triplet pairing, and we describe the structure of the normal state. We also draw lessons for twisted bilayer graphene (TBG), and we explain the differences in the phenomenology with TTG despite their close microscopic relationship. We propose that a singlet-triplet superposition is realized in the TBG superconductor as well, and that the ν = –2 correlated insulator may be a time-reversal protected Z 2 topological insulator obtained through spontaneous spin symmetry breaking.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Anomalous Shiba states in topological iron-based superconductors

We demonstrate the formation of robust zero energy modes close to magnetic impurities in the iron-based superconductor FeSe 1–x Te x . We find that the Zeeman field generated by the impurity favors a spin-triplet inter-orbital pairing as opposed to the spin-singlet intra-orbital pairing prevalent in the bulk. The preferred spin-triplet pairing preserves time-reversal symmetry and is topological, as robust, topologically-protected zero modes emerge at the boundary between regions with different pairing states. Moreover, the zero modes form Kramers doublets that are insensitive to the direction of the spin polarization or to the separation between impurities. Here, we argue that our theoretical results are consistent with recent experimental measurements on FeSe 1–x Te x .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

High-fidelity dimer excitations using quantum hardware

The quantum simulation of entangled spin systems can play a central role in quantum magnetic materials discovery. Additionally, the simulation of spectroscopic signatures, such as the dynamical structure factor accessed in inelastic neutron scattering (INS), necessitates a long timescale for circuit evolution. This is because the energy resolution is directly related to the time over which the circuit could be meaningfully evolved. However, canonical Trotterization requires deep circuits precluding such long-time evolution—even for a small number of qubits. Here, in this study, we demonstrate “direct” resource efficient fast-forwarding (REFF) measurements with short-depth circuits that can be used to capture longer time dynamics of spin Hamiltonians. We showcase the results of the dynamics of a quantum spin dimer, the basic quantum unit of emergent many-body spin systems, whose density of states we simulate accurately. The long temporal evolution and measurement of the two-spin correlation functions enable the calculation of the dynamical structure factor S⁡(Q = 0, ω) measured in the neutron scattering cross-section. We exhibit the clarity of the triplet gap and the triplet splitting of the quantum dimer with class-leading fidelity that enables comparison to experimental neutron data. Our results on current circuit hardware outline an important workflow to predict and benchmark against the outputs of INS experiments of quantum magnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Simultaneous fitting of neutron star structure and cooling data

Using a model for the equation of state and composition of dense matter and the magnitude of singlet proton superconductivity and triplet neutron superfluidity, we perform the first simultaneous fit of neutron star masses and radii determined from observations of quiescent low-mass X-ray binaries and luminosities and ages determined from observations of isolated neutron stars. We find that the Vela pulsar strongly determines the values inferred for the superfluid/superconducting gaps and the neutron star radius. Here, we find, regardless of whether or not the Vela pulsar is included in the analysis, that the threshold density for the direct Urca process lies between the central density of 1.7 and 2 solar mass neutron stars. We also find that 2 solar mass stars are unlikely to cool principally by the direct Urca process because of the suppression by neutron triplet superfluidity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Constraining superfluidity in dense matter from the cooling of isolated neutron stars

In this paper, we present a quantitative analysis of superfluidity and superconductivity in dense matter from observations of isolated neutron stars in the context of the minimal cooling model. Our new approach produces the best fit neutron triplet superfluid critical temperature, the best fit proton singlet superconducting critical temperature, and their associated statistical uncertainties. We find that the neutron triplet critical temperature is likely 2.09 +4.37 -1.41 x 10 8 K and that the proton singlet critical temperature is 7.59 +2.48 -5.81 x 10 9 K. However, we also show that this result only holds if the Vela neutron star is not included in the data set. If Vela is included, the gaps increase significantly to attempt to reproduce Vela's lower temperature given its young age. Further including neutron stars believed to have carbon atmospheres increases the neutron critical temperature and decreases the proton critical temperature. Finally, our method demonstrates that continued observations of isolated neutron stars can quantitatively constrain the nature of superfluidity in dense matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Standard model EFT and extended scalar sectors

One of the simplest extensions of the Standard Model is the inclusion of an additional scalar multiplet, and we consider scalars in the S U ( 2 ) L singlet, triplet, and quartet representations. Here, we examine models with heavy neutral scalars, m H ~1 – 2 TeV , and the matching of the UV complete theories to the low energy effective field theory. We also demonstrate the agreement of the kinematic distributions obtained in the singlet models for the gluon fusion of a Higgs pair with the predictions of the effective field theory. Finally, the restrictions on the extended scalar sectors due to unitarity and precision electroweak measurements are summarized and lead to highly restricted regions of viable parameter space for the triplet and quartet models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Liquid xenon scintillation measurements and pulse shape discrimination in the LUX dark matter detector

Weakly Interacting Massive Particles (WIMPs) are a leading candidate for dark matter and are expected to produce nuclear recoil (NR) events within liquid xenon time-projection chambers. Here, we present a measurement of liquid xenon scintillation characteristics in the LUX dark matter detector and develop a pulse shaped based discrimination parameter to be used for particle identification. To accurately measure the scintillation characteristics, we develop a template-fitting method to reconstruct the detection time of photons. Analyzing calibration data collected during the 2013-16 LUX WIMP search, we measure a singlet-to-triplet scintillation ratio for electron recoils (ER) that is consistent with existing literature, and we make a first-ever measurement of the NR singlet-to-triplet ratio at recoil energies below 74 keV. A prompt fraction discrimination parameter exploits the difference of the photon time spectra for NR and ER events and is optimized to have the least number of ER events that occur in the 50% NR acceptance region. When this discriminator is used in conjunction with charge-to-light discrimination on the calibration data, the signal-to-noise ratio in the NR dark matter acceptance region increases by up to a factor of two.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Bispectrum as baryon acoustic oscillation interferometer

The galaxy bispectrum, measuring excess clustering of galaxy triplets, offers a probe of dark energy via baryon acoustic oscillations (BAOs). However up to now it has been severely underused due to the combinatorically explosive number of triangles. Here we exploit interference in the bispectrum to identify triangles that amplify BAOs. Here, this approach reduces the computational cost of estimating covariance matrices, offers an improvement in BAO constraints equivalent to lengthening BOSS by 30% and simplifies adding bispectrum BAO information to future large-scale redshift survey analyses.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Knight Shift and Leading Superconducting Instability from Spin Fluctuations in Sr 2 RuO 4

We report that recent nuclear magnetic resonance studies [A. Pustogow et al. , Nature 574, 72 (2019)] have challenged the prevalent chiral triplet pairing scenario proposed for Sr 2 RuO 4 . To provide guidance from microscopic theory as to which other pair states might be compatible with the new data, we perform a detailed theoretical study of spin fluctuation mediated pairing for this compound. We map out the phase diagram as a function of spin-orbit coupling, interaction parameters, and band structure properties over physically reasonable ranges, comparing when possible with photoemission and inelastic neutron scattering data information. We find that even-parity pseudospin singlet solutions dominate large regions of the phase diagram, but in certain regimes spin-orbit coupling favors a near-nodal odd-parity triplet superconducting state, which is either helical or chiral depending on the proximity of the γ band to the van Hove points. A surprising near degeneracy of the nodal s ' and d x 2 - y 2 wave solutions leads to the possibility of a near-nodal time-reversal symmetry broken s ' + i d x 2 - y 2 pair state. Lastly, predictions for the temperature dependence of the Knight shift for fields in and out of plane are presented for all states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Tuning of altermagnetism by strain

For all collinear altermagnets, we sort out piezomagnetic free-energy invariants allowed in the nonrelativistic limit and relativistic piezomagnetic invariants bilinear in the Néel vector $\mathbf{L}$ and magnetization $\mathbf{M}$, which include strain-induced Dzyaloshinskii-Moriya interaction. The symmetry-allowed responses are fully determined by the nonrelativistic spin Laue group. In the nonrelativistic limit, two distinct mechanisms are discussed: the band-filling mechanism, which exists in metals and is illustrated using the simple two-dimensional Lieb lattice model, and the temperature-dependent exchange-driven mechanism, which is illustrated using first-principles calculations for transition-metal fluorides. The leading second-order nonrelativistic term in the strain-induced magnetization is also obtained for CrSb. Piezomagnetism due to the strain-induced Dzyaloshinskii-Moriya interaction is calculated from first principles for transition-metal fluorides, MnTe, and CrSb. Finally, we discuss triplet superconducting correlations supported by altermagnets and protected by inversion rather than time-reversal symmetry. We apply the nonrelativistic classification of Cooper pairs to describe the interplay between strain and superconductivity in the two-dimensional Lieb lattice and in bulk rutile structures. Here, we show that triplet superconductivity is, on average, unitary in an unstrained altermagnet, but becomes non-unitary under piezomagnetically active strain.

FOS: Physical sciences↗
DOE OSTI2021

TriGORank: A Gene Ontology Enriched Learning-to-Rank Framework for Trigenic Fitness Prediction

Machine learning (ML) has been gaining interest in the metabolic engineering community as a means to automate prediction tasks. In this work, we introduce and study the task of using ML to recommend high-fitness triplet mutants as candidates for wet-lab experiments. We first utilize individual fitness and digenic fitness scores as features and train machine learning models that produce a ranked list, from high to low fitness scores, for triplet gene mutants of S. cerevisiae. Then, we incorporate prior metabolic knowledge from an existing gene ontology, by designing a novel graph representation and deducing features that can capture gene similarity and gene interactions. Lastly, experimental results show that our proposed gene ontology enriched model, termed TriGORank, improves both performance and explainability.

Labhishetty, Sahiti↗
DOE OSTI2017

Conductor Specification and Validation for High-Luminosity LHC Quadrupole Magnets

The High Luminosity Upgrade of the Large Hadron Collider (HL-LHC) at CERN will replace the main ring inner triplet quadrupoles, identified by the acronym MQXF, adjacent to the main ring intersection regions. For the past decade, the U.S. LHC Accelerator R&D Program, LARP, has been evaluating conductors for the MQXFA prototypes, which are the outer magnets of the triplet. Recently, the requirements for MQXF magnets and cables have been published in P. Ferracin et al., IEEE Trans. Appl. Supercond., vol. 26, no. 4, 2016, Art. no.4000207, along with the final specification for Ti-alloyed Nb3Sn conductor determined jointly by CERN and LARP. This paper describes the rationale beneath the 0.85 mm diameter strand’s chief parameters, which are 108 or more sub-elements, a copper fraction not less than 52.4%, strand critical current at 4.22 K not less than 631 A at 12 T and 331 A at 15 T, and residual resistance ratio of not less than 150. This paper also compares the performance for ~100 km production lots of the five most recent LARP conductors to the first 163 km of strand made according to the HL-LHC specification. Two factors emerge as significant for optimizing performance and minimizing risk: a modest increase of the sub-element diameter from 50 to 55 μm, and a Nb:Sn molar ratio of 3.6 instead of 3.4. Furthermore, the statistics acquired so far give confidence that the present conductor can balance competing demands in production for the HL-LHC project.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Mechanical Design Analysis of MQXFB, the 7.2-m-Long Low- $\beta$ Quadrupole for the High-Luminosity LHC Upgrade

As part of the High-Luminosity Large Hadron Collider (LHC) Project, a set of Nb 3 Sn quadrupoles are being developed, aiming to enhance the performance of the inner triplets. The new magnets, identified as MQXFA and MQXFB, will share the same cross section with two different lengths, 4.2 and 7.2 m, respectively. During the magnet development, three short models were tested, along with a number of mechanical models, demonstrating the capability of the magnet cross section to achieve the specified performances. The same performances are now required for the full-length magnets. To ensure this, the authors studied the impact of the magnet length on the capability of the structure to provide an adequate support to the coils. Finite element and simplified analytical models were used to evaluate the impact of the magnet length on the stresses in the magnet ends and coil elongation during powering. Lastly, the models were calibrated using the results from the short model tests, and used to provide an indication on the required prestress and its foreseen impact on the magnet performance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Mechanical Analysis of the Short Model Magnets for the Nb $_{3}$Sn Low-$\beta$ Quadrupole MQXF

During the development of MQXF, the new Nb 3 Sn quadrupole to be used in the large hadron collider (LHC) inner triplets for the High Luminosity upgrade, three short models were tested: MQXFS1, MQXFS3, and MQXFS5. These models differ in the use of thin or thick laminations for the iron components, in the coil design, and in the superconductive strands, rod restack process (RRP) or powder in tube (PIT). In the MQXF design, the azimuthal prestress is provided at room temperature by means of the bladder-key technology, and it is further increased during the cooldown by the differential thermal contraction of the various components. Four aluminum rods provide the longitudinal prestress. Both systems allow for a flexible control of the amount of prestress applied. As a consequence, it was possible to test the models exploring different azimuthal and longitudinal prestress conditions, in an attempt to understand their impact on the magnet performances. Here, this paper studies the mechanical behavior of these short models, also providing the strain and stresses measured by means of strain gauges installed on the aluminum shell, on the winding poles and on the rods. Finally, the paper compares the measures with the results from finite element (FE) models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Geometric Field Errors of Short Models for MQXF, the Nb3Sn Low-β Quadrupole for the High Luminosity LHC

© 2002-2011 IEEE. In the framework of the high-luminosity upgrade of the large hadron collider, the U.S. LARP collaboration and CERN are jointly developing a 150-mm aperture Nb3Sn quadrupole for the Large Hadron Collider (LHC) interaction regions. Due to the large beam size and orbit displacement in the final focusing triplet, MQXF has challenging targets for field quality at nominal operation conditions. Three short model magnets have been tested and around 30 coils have been built, allowing a first analysis of the reproducibility of the coil size and turns positioning. The impact of the coil shimming on field quality is evaluated, with special emphasis on the warm magnetic measurements and the correlation to field measurements at cold and nominal field. The variability of the field harmonics along the magnet axis is studied by means of a Monte-Carlo analysis and the effects of the corrective actions implemented to suppress the low-order unallowed multipoles are discussed.

Bermudez, Susana Izquierdo↗