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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The proton charge radius

Nucleons (protons and neutrons) are the building blocks of atomic nuclei and are responsible for more than 99% of the visible matter in the Universe. Despite decades of efforts in studying its internal structure, there are still a number of puzzles surrounding the proton such as its spin and charge radius. Accurate knowledge about the proton charge radius is not only essential for understanding how QCD works in the nonperturbative region but also important for bound state QED calculations of atomic energy levels. It also has an impact on the Rydberg constant, one of the most precisely measured fundamental constants in nature. This review examines the latest situation concerning the proton charge radius in light of the new experimental results from both atomic hydrogen spectroscopy and electron-scattering measurements, with particular focus on the latter. Further, theoretical backgrounds and recent developments concerning the determination of the proton charge radius using different experimental techniques are also presented. Upcoming experiments are discussed, and the deuteron charge radius puzzle is mentioned at the end.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Bottomonium properties in the quark-gluon plasma from a lattice-QCD informed 𝑇-matrix approach

Recent computations of bottomonium correlation functions with extended sources in lattice-discretized quantum chromodynamics (lQCD) provide new insights into heavy-quark dynamics at distance scales which are of the order of the inverse temperature. We analyze these results employing the thermodynamic 𝑇-matrix framework, in a continued effort to interpret lQCD data for quarkonium correlation functions in a nonperturbative and self-consistently solved quantum-many-body approach to a strongly coupled quark-gluon plasma (QGP). Its key inputs are the in-medium driving kernel (potential) of the scattering equation and an interference function which implements 3-body effects in the quarkonium coupling to the thermal medium. A simultaneous description of lQCD results for the bottomonium correlators with extended operators and the previously analyzed Wilson line correlators only requires minor refinements of the potential but calls for stronger interference effects at larger separation of the bottom quark and antiquark. We then analyze the poles of the self-consistent 𝑇 matrices on the real axis to assess the survival of the various bound states. Here, we estimate the pertinent temperatures where the poles disappear for the various bottomonium states and discuss the relation to the corresponding peaks in the bottomonium spectral functions. We also recalculate the spatial diffusion coefficient of the QGP and find it to be similar to that in our previous study.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

High-resolution X-ray structure of Gln143Asn manganese superoxide dismutase captures multiple hydrogen peroxide-binding sites

Human mitochondrial manganese superoxide dismutase (MnSOD) converts superoxide into hydrogen peroxide and molecular oxygen, serving as a key defence against oxidative damage. Despite extensive studies, the full structural characterization of H 2 O 2 -binding sites in MnSOD remains largely unexplored. Previous H 2 O 2 -soaked MnSOD structures have identified two distinct H 2 O 2 -binding sites: one directly ligated to the catalytic manganese (LIG position) and another at the active-site gateway (PEO position) between the second-shell residues Tyr34 and His30. In this study, a kinetically impaired Gln143Asn MnSOD variant is used to trap and explore additional H 2 O 2 -binding sites beyond the second-shell solvent gate. In the wild-type enzyme, Gln143 mediates proton transfers with the manganese-bound solvent (WAT1) to drive redox cycling of the metal, which is necessary for effective superoxide dismutation. Substitution with Asn stalls catalysis because the increased distance from WAT1 disrupts critical proton-coupled electron-transfer (PCET) events, and the redox cycling of the active-site metal is impaired. This, in turn, stalls the electrostatic cycling of positive charge on the enzyme surface and enhances the likelihood of trapping transient H 2 O 2 -bound states in this variant. The results reveal several H 2 O 2 molecules leading up to the active site, in addition to the canonical LIG and PEO positions.

Dasgupta, Medhanjali [University of Nebraska Medic↗
DOE OSTI2024

Efficacious Qubit Mappings for Quantum Simulations of the 12 C Rotational Band

Solving atomic nuclei from first principles places enormous demands on computational resources, which grow exponentially with increasing number of particles and the size of the space they occupy. We present first quantum simulations based on the variational quantum eigensolver for the low-lying structure of the 12C nucleus that provide acceptable bound-state energies even in the presence of noise. Here, we achieve this by taking advantage of two critical developments. First, we utilize an almost perfect symmetry of atomic nuclei that, in a complete symmetry-adapted basis, drastically reduces the size of the model space. Second, we use the efficacious Gray encoding, for which it has been recently shown that it is resource efficient, especially when coupled with a near band-diagonal structure of the nuclear Hamiltonian.

Encoding↗
DOE OSTI2020

Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins

Staphylococcus aureus is a major human pathogen that has acquired alarming broad-spectrum antibiotic resistance. One group of secreted toxins with key roles during infection is the phenol-soluble modulins (PSMs). PSMs are amphipathic, membrane-destructive cytolytic peptides that are exported to the host-cell environment by a designated adenosine 5'-triphosphate (ATP)–binding cassette (ABC) transporter, the PSM transporter (PmtABCD). Here, we demonstrate that the minimal Pmt unit necessary for PSM export is PmtCD and provide its first atomic characterization by single-particle cryo-EM and x-ray crystallography. We have captured the transporter in the ATP-bound state at near atomic resolution, revealing a type II ABC exporter fold, with an additional cytosolic domain. Comparison to a lower-resolution nucleotide-free map displaying an “open” conformation and putative hydrophobic inner chamber of a size able to accommodate the binding of two PSM peptides provides mechanistic insight and sets the foundation for therapeutic design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Nonequilibrium sub-10 nm spin-wave soliton formation in FePt nanoparticles

Magnetic nanoparticles such as FePt in the L1 0 phase are the bedrock of our current data storage technology. As the grains become smaller to keep up with technological demands, the superparamagnetic limit calls for materials with higher magnetocrystalline anisotropy. This, in turn, reduces the magnetic exchange length to just a few nanometers, enabling magnetic structures to be induced within the nanoparticles. Here, we describe the existence of spin-wave solitons, dynamic localized bound states of spin-wave excitations, in FePt nanoparticles. We show with time-resolved x-ray diffraction and micromagnetic modeling that spin-wave solitons of sub–10 nm sizes form out of the demagnetized state following femtosecond laser excitation. The measured soliton spin precession frequency of 0.1 THz positions this system as a platform to develop novel miniature devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature

The nonstructural protein 3 (NSP3) macrodomain of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) (Mac1) removes adenosine diphosphate (ADP) ribosylation posttranslational modifications, playing a key role in the immune evasion capabilities of the virus responsible for the coronavirus disease 2019 pandemic. Here, we determined neutron and x-ray crystal structures of the SARS-CoV-2 NSP3 macrodomain using multiple crystal forms, temperatures, and pHs, across the apo and ADP-ribose–bound states. We characterize extensive solvation in the Mac1 active site and visualize how water networks reorganize upon binding of ADP-ribose and non-native ligands, inspiring strategies for displacing waters to increase the potency of Mac1 inhibitors. Determining the precise orientations of active site water molecules and the protonation states of key catalytic site residues by neutron crystallography suggests a catalytic mechanism for coronavirus macrodomains distinct from the substrate-assisted mechanism proposed for human MacroD2. These data provoke a reevaluation of macrodomain catalytic mechanisms and will guide the optimization of Mac1 inhibitors.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Structural basis for flagellin-induced NAIP5 activation

The NAIP (NLR family apoptosis inhibitory protein)/NLRC4 (NLR family CARD containing protein 4) inflammasome senses Gram-negative bacterial ligand. In the ligand-bound state, the winged helix domain of NAIP forms a steric clash with NLRC4 to open it up. However, how ligand binding activates NAIP is less clear. Here, we investigated the dynamics of the ligand-binding region of inactive NAIP5 and solved the cryo-EM structure of NAIP5 in complex with its specific ligand, FliC from flagellin, at 2.9-Å resolution. The structure revealed a “trap and lock” mechanism in FliC recognition, whereby FliC-D0 C is first trapped by the hydrophobic pocket of NAIP5, then locked in the binding site by ID (insertion domain) and C-terminal tail of NAIP5. The FliC-D0 N domain further inserts into ID to stabilize the complex. According to this mechanism, FliC triggers the conformational change of NAIP5 by bringing multiple flexible domains together.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Evidence for dispersing 1D Majorana channels in an iron-based superconductor

The possible realization of Majorana fermions as quasiparticle excitations in condensed-matter physics has created much excitement. Most studies have focused on Majorana bound states; however, propagating Majorana states with linear dispersion have also been predicted. Here, we report scanning tunneling spectroscopic measurements of crystalline domain walls (DWs) in FeSe 0.45 Te 0.55 . We located DWs across which the lattice structure shifts by half a unit cell. These DWs have a finite, flat density of states inside the superconducting gap, which is a hallmark of linearly dispersing modes in one dimension. This signature is absent in DWs in the related superconductor, FeSe, which is not in the topological phase. Our joint data are consistent with the observation of dispersing Majorana states at a π-phase shift DW in a proximitized topological material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Electrically controlled interlayer trion fluid in electron-hole bilayers

Here, the combination of repulsive and attractive Coulomb interactions in a quantum electron-hole (e-h) fluid can produce correlated phases of multiparticle charge complexes, such as excitons, trions, and biexcitons. We report an experimental realization of an electrically controlled interlayer trion fluid in van der Waals heterostructures. In strongly coupled e-h bilayers, electrons and holes spontaneously form three-particle trion bound states. The interlayer trions can assume 1e-2h and 2e-1h configurations. We show that the two holes in 1e-2h trions form a spin-singlet with a spin gap of approximately one milli–electron volt. By electrostatic gating, the equilibrium state can be continuously tuned into an exciton fluid, a trion fluid, an exciton-trion mixture, or a trion-charge mixture. Our work demonstrates a platform to study correlated phases of tunable Bose-Fermi mixtures.

Qi, Ruishi [University of California, Berkeley, CA↗
DOE OSTI2020

Light element ($$Z=1,2$$) production from spontaneous ternary fission of $$^{252}$$Cf

Abstract The yields of light elements ( $$Z=1,2$$ Z = 1 , 2 ) obtained from spontaneous ternary fission of $$^{252}$$ 252 Cf are treated within a nonequilibrium approach, and the contribution of unstable nuclei and excited bound states is taken into account. These light cluster yields may be used to probe dense matter, and to infer in-medium corrections such as Pauli blocking which is determined by the nucleon density. Continuum correlations are calculated from scattering phase shifts using the Beth-Uhlenbeck formula, and the effect of medium modification is estimated. The relevant distribution is reconstructed from the measured yields of isotopes. This describes the state of the nucleon system at scission and cluster formation, using only three Lagrange parameters which are the nonequilibrium counterparts of the temperature and chemical potentials, as defined in thermodynamic equilibrium. We concluded that a simple nuclear statistical equilibrium model neglecting continuum correlations and medium effects is not able to describe the measured distribution of H and He isotopes. Moreover, the freeze-out concept may serve as an important ingredient to the nonequilibrium approach using the relevant statistical operator concept.

Röpke, G.↗
DOE OSTI2022

Lattice Monte Carlo simulations with two impurity worldlines

Abstract We develop the impurity lattice Monte Carlo formalism for the case of two distinguishable impurities in a bath of polarized fermions. The majority particles are treated as explicit degrees of freedom, while the impurities are described by worldlines. The latter serve as localized auxiliary fields, which affect the majority particles. We apply the method to non-relativistic three-dimensional systems of two impurities and a number of majority particles where both the impurity–impurity interaction and the impurity–majority interaction have zero range. We consider the case of an attractive impurity–majority interaction, and we study the formation and disintegration of bound states as a function of the impurity–impurity interaction strength. We also discuss the potential applications of this formalism to other quantum many-body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

(Anti-)deuteron production in pp collisions at $\sqrt{s}=13 \ \text {TeV}$

The study of (anti-)deuteron production in pp collisions has proven to be a powerful tool to investigate the formation mechanism of loosely bound states in high-energy hadronic collisions. In this paper the production of $\text {(anti-)deuterons}$ is studied as a function of the charged particle multiplicity in inelastic pp collisions at $\sqrt{s}=13$ TeV using the ALICE experiment. Thanks to the large number of accumulated minimum bias events, it has been possible to measure (anti-)deuteron production in pp collisions up to the same charged particle multiplicity ( ${\mathrm {d} N_{ch}/\mathrm {d} \eta } \sim 26$ ) as measured in p–Pb collisions at similar centre-of-mass energies. Within the uncertainties, the deuteron yield in pp collisions resembles the one in p–Pb interactions, suggesting a common formation mechanism behind the production of light nuclei in hadronic interactions. In this context the measurements are compared with the expectations of coalescence and statistical hadronisation models (SHM).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Production of light (anti)nuclei in pp collisions at $\sqrt{s} = 5.02$ TeV

The study of the production of nuclei and antinuclei in pp collisions has proven to be a powerful tool to investigate the formation mechanism of loosely bound states in high-energy hadronic collisions. In this paper, the production of protons, deuterons and 3He and their charge conjugates at midrapidity is studied as a function of the charged-particle multiplicity in inelastic pp collisions at √s=5.02 TeV using the ALICE detector. Within the uncertainties, the yields of nuclei in pp collisions at √s=5.02 TeV are compatible with those in pp collisions at different energies and to those in p–Pb collisions when compared at similar multiplicities. The measurements are compared with the expectations of coalescence and Statistical Hadronisation Models. The results suggest a common formation mechanism behind the production of light nuclei in hadronic interactions and confirm that they do not depend on the collision energy but on the number of produced particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Light-front wavefunctions of mesons by design

Abstract We develop a mechanism to build the light-front wavefunctions (LFWFs) of meson bound states on a small-sized basis function representation. Unlike in a standard Hamiltonian formalism, the Hamiltonian in this method is implicit, and the information of the system is carried directly by the functional form and adjustable parameters of the LFWFs. In this work, we model the LFWFs for four charmonium states, $$\eta _c$$ η c , $$J/\psi $$ J / ψ , $$\psi '$$ ψ ′ , and $$\psi (3770)$$ ψ ( 3770 ) as superpositions of orthonormal basis functions. We choose the basis functions as eigenfunctions of an effective Hamiltonian, which has a longitudinal confining potential in addition to the transverse confining potential from light-front holographic QCD. We determine the basis function parameters and superposition coefficients by employing both guidance from the nonrelativistic description of the meson states and the experimental measurements of the meson decay widths. With the obtained wavefunctions, we study the features of those meson states, including charge radii and parton distribution functions. We use the $$J/\psi $$ J / ψ LFWF to calculate the meson production in diffractive deep inelastic scattering and ultra-peripheral heavy-ion collisions, and the $$\eta _c$$ η c LFWF to calculate its diphoton transition form factor. Both results show good agreement with experiments. The obtained LFWFs have simple-functional forms and can be readily used to predict additional experimental observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Valence structures of light and strange mesons from the basis light-front quantization framework

In this work, we apply the basis light-front quantization (BLFQ) framework to solve for the structures of mesons with light and strange valence quarks. Our approach treats mesons as relativistic bound states with quarks confined in both the transverse direction and the light-front longitudinal direction. The spin-orbit interactions of these confined quarks are further specified by the Nambu–Jona-Lasinio model. We address the U(1)A axial anomaly by including the Kobayashi-Maskawa-’t Hooft interaction regularized by our basis. We present the structures of the pion, the kaon, the eta meson, and the eta-prime meson in terms of their valence light-front wave functions obtained from the eigenvalue problem of our light-front Hamiltonian.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

A solvable quantum field theory with asymptotic freedom in (3+1) dimensions

Recently, Ai, Bender and Sarkar gave a prescription on how to obtain [Formula: see text]-symmetric field theory results from an analytic continuation of Hermitian field theories. We perform this analytic continuation for the massless (critical) [Formula: see text] model with quartic interaction in (3+1) dimensions. In the large-[Formula: see text] limit, this theory is exactly solvable, and has negative [Formula: see text]-function in the ultraviolet, and a stable bound state in the infrared. The coupling diverges at a scale [Formula: see text], but can be continued into the far infrared. At finite temperature, the theory exhibits two phases separated by a second-order phase transition near [Formula: see text].

Physics↗
DOE OSTI2022

BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL

Activated B cell–like diffuse large B-cell lymphomas (ABC-DLBCL) have unfavorable outcomes and chronic activation of CARD11–BCL10–MALT1 (CBM) signal amplification complexes that form due to polymerization of BCL10 subunits, which is affected by recurrent somatic mutations in ABC-DLBCLs. Herein, we show that BCL10 mutants fall into at least two functionally distinct classes: missense mutations of the BCL10 CARD domain and truncation of its C-terminal tail. Truncating mutations abrogated a motif through which MALT1 inhibits BCL10 polymerization, trapping MALT1 in its activated filament-bound state. CARD missense mutations enhanced BCL10 filament formation, forming glutamine network structures that stabilize BCL10 filaments. Mutant forms of BCL10 were less dependent on upstream CARD11 activation and thus manifested resistance to BTK inhibitors, whereas BCL10 truncating but not CARD mutants were hypersensitive to MALT1 inhibitors. Therefore, BCL10 mutations are potential biomarkers for BTK inhibitor resistance in ABC-DLBCL, and further precision can be achieved by selecting therapy based on specific biochemical effects of distinct mutation classes.

60 APPLIED LIFE SCIENCES↗