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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A near-infrared optical nanosensor for measuring aerobic respiration in microbial systems

We developed a ratiometric oxygen-sensitive nanosensor and demonstrated application in monitoring metabolic oxygen consumption in microbial samples over time. Based on a near-infrared (NIR) emitting oxygen-quenched luminophore, platinum(II) octaethylporphine ketone (PtOEPK), along with a stable dioctadecyl dicarbocyanine reference dye (DiD), this nanosensor system provides an advantageous approach for overcoming imaging issues in biological systems, such as autofluorescence and optical scattering in the visible wavelength region. The dyes are encapsulated within a polymer-based nanoparticle matrix to maintain them at a constant ratio in biological samples, precluding the need for complex synthetic approaches. With this constant ratio of the two dyes, the nanosensor response can be measured as a ratio of their two signals, accounting for nanosensor concentration artifacts in measurements. The nanosensors are reversible, which enabled us to temporally monitor systems in which dissolved oxygen concentrations both increase and decrease. These sensors were applied for the monitoring of oxygen in samples of Saccharomyces cerevisiae (brewing yeast) in a 96-well optical fluorescence plate reader format over 60 h. By mixing the nanosensors directly into the sample well with the yeast, we were able to dynamically track metabolic activity changes over time due to varying cell concentration and exposure to an antimicrobial agent. As a result, this system could be a potential platform for high-throughput screening of various species or variants of microbes with unknown metabolic rates in response to external stimuli (antimicrobials, metabolites, etc.).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Influence of extended interactions on spin dynamics in one-dimensional cuprates

Quasi-one-dimensional (1D) materials provide a unique platform for understanding the importance and influence of extended interactions on the physics of strongly correlated systems due to their relative structural simplicity and the existence of powerful theoretical tools well-adapted to one spatial dimension. Recently, this was highlighted by anomalous observations in the single-particle spectral function A(q, ω) of 1D cuprate chain compounds, measured by angle-resolved photoemission spectroscopy (ARPES), which were explained by the presence of a long-range attractive interaction. Such an extended interaction should leave its fingerprints on other observables, notably the dynamical spin structure factor S(q, ω), measured by neutron scattering or resonant inelastic x-ray scattering (RIXS). Starting from a simple Hubbard Hamiltonian in 1D and using time-dependent density matrix renormalization group (tDMRG) methods, we show that the presence of long-range attractive coupling, directly through an instantaneous Coulomb interaction V or retarded electron phonon (el-ph) coupling, can introduce significant spectral weight redistribution in S(q, ω) across a wide range of doping. Here, this underscores the significant impact that extended interactions can have on dynamical correlations among particles, and the importance of properly incorporating this influence in modeling. Our results demonstrate that S(q, ω) can provide a sensitive experimental constraint, which complements ARPES measurements, in identifying key interactions in 1D cuprates, beyond the standard Hubbard model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Entanglement Witness for Indistinguishable Electrons Using Solid-State Spectroscopy

Characterizing entanglement in quantum materials is crucial for advancing next-generation quantum technologies. Despite recent strides in witnessing entanglement in magnetic materials with distinguishable spin modes, quantifying entanglement in systems formed by indistinguishable electrons remains a formidable challenge. To solve this problem, we introduce a method to extract various four-fermion correlations by analyzing the nonlinearity in resonant inelastic x-ray scattering spectra. These correlations constitute the primary components of the cumulant two-particle reduced density matrix. We further derive bounds for its eigenvalues and demonstrate the linear scaling with fermionic entanglement depth, providing a reliable witness for entanglement. Using the material-relevant strongly correlated models as examples, we show how this entanglement witness can efficiently quantify multipartite entanglement across different phase regions, highlighting its advantage over quantum Fisher information. Published by the American Physical Society 2025

Liu, Tongtong (ORCID:0000000295324061)↗
DOE OSTI2023

The EIC on a Table Top (Final Report)

A research collaboration between JLab and the Atomic and Molecular Optics group of Olivier Pfister at UVA was established to adapt and enhance their optics-based Quantum Computing (QC) system for the calculation of Doubly-Deeply Virtual Compton Scattering amplitudes relevant for JLab12 and the EIC program. The formalism and simulation infrastructure for computing matrix elements of such Compton amplitudes was established. In partnership with UVA, JLab has provided the technical expertise to enhance the current system, and explored significantly scaling it to become a unique and powerful resource.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Electromagnetic duality and D3-brane scattering amplitudes beyond leading order

We use on-shell methods to study the non-supersymmetric and supersymmetric low-energy S-matrix on a probe D3-brane, including both the 1-loop contributions of massless states as well as the effects of higher-derivative operators. Our results include: (1) A derivation of the duality invariance of Born-Infeld electrodynamics as the dimensional oxidation of the group of spatial rotations transverse to a probe M2-brane; this is done using a novel implementation of subtracted on-shell recursion. (2) The first explicit loop-level BCJ double-copy in a non-gravitational model, namely the calculation of the 4-point self-dual amplitude of non-supersymmetric Born-Infeld. (3) From previous results for n-point self-dual 1-loop BI amplitudes and the conjectured dimension-shifting relations in Yang-Mills, we obtain an explicit all-multiplicity, at all orders in E, expression for the 1-loop integrand of the MHV sector of N = 4 DBI. (4) For all n > 4, the explicitly integrated duality-violating 1-loop amplitudes (self-dual and next-to-self-dual in pure BI as well as MHV in N = 4 DBI) are shown to be removable at O(ε 0 ) by adding finite local counterterms; we propose that this may be true more generally at 1-loop order. (5) We find that in non-supersymmetric Born-Infeld, not all finite local counterterms needed to restore electromagnetic duality can be constructed using the double-copy with higher-derivative corrections, suggesting a fundamental tension between electromagnetic duality and color-kinematics duality at loop-level. Finally we comment on oxidation of duality symmetries in supergravity and the parallels it has to the M2-brane to D3-brane oxidation demonstrated in this paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Understanding the Structure and Dynamics of Complex Biomembrane Interactions by Neutron Scattering Techniques

The membrane is one of the key structural materials of biology at the cellular level. Composed predominantly of a bilayer of lipids with embedded and bound proteins, it defines the boundaries of the cell and many organelles essential to life and therefore is involved in almost all biological processes. Membrane-specific interactions, such as drug binding to a membrane receptor or the interactions of an antimicrobial compound with the lipid matrix of a pathogen membrane, are of interest across the scientific disciplines. Herein we present a review, aimed at nonexperts, of the major neutron scattering techniques used in membrane studies: small-angle neutron scattering, neutron membrane diffraction, neutron reflectometry, quasielastic neutron scattering, and neutron spin echo. Neutron scattering techniques are well suited to studying biological membranes. The nondestructive nature of cold neutrons means that samples can be measured for long periods without fear of beam damage from ultraviolet, electron, or X-ray radiation, and neutron beams are highly penetrating, thus offering flexibility in samples and sample environments. Most important is the strong difference in neutron scattering lengths between the two most abundant forms of hydrogen, protium and deuterium. Changing the relative amounts of protium/deuterium in a sample allows the production of a series of neutron scattering data sets, enabling the observation of differing components within complex membrane architectures. This approach can be as simple as using the naturally occurring neutron contrast between different biomolecules to study components in a complex by changing the solution H 2 O/D 2 O ratio or as complex as selectively labeling individual components with hydrogen isotopes. This review presents an overview of each experimental technique with the neutron instrument configuration, related sample preparation and sample environment, and data analysis, highlighted by a special emphasis on using prominent neutron contrast to understand structure and dynamics. This review gives researchers a practical introduction to the often enigmatic suite of neutron beamlines, thereby lowering the barrier to taking advantage of these large-facility techniques to achieve new understandings of membranes and their interactions with other molecules.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Understanding interfacial crystallization dynamics on carbon fiber reinforced polypropylene composite manufacturing

Reinforcing polymers with discontinuous fibers improves mechanical properties, such as strength and stiffness, and in some cases achieve isotropic properties, rendering them suitable for various engineering applications. Matrix materials are generally highly engineered thermosets (e.g. crosslinked epoxies), bonded to the fiber periphery by proprietary surface and sizing chemistries. Semicrystalline thermoplastic matrices are less utilized due to poor fiber-matrix bonding resulting in inefficient interfacial load-transfer in reinforced composites. However, flexibility with melt-processing or molding conditions can be leveraged to promote non-covalent interfacial bonding between matrix and fiber via crystallization of the matrix onto fiber surface. In the present study, we utilize a co-mingle chopped carbon and isotactic polypropylene fibers to form isotropic composites, tailoring interfacial immobilized matrix or interphase morphology to optimize performance through precise control of thermal processing/molding windows. Calorimetry and optical microscopy were employed to investigate the impact of carbon fiber at various volume fractions (10, 20, and 30 %) on isotactic polypropylene crystallization and mechanical performance. Variations in mechanical properties correspond to the structural evolution of the interfacial region and are correlated to underlying microstructural attributes using wide-angle X-ray scattering, thermal analysis, and low-field nuclear magnetic resonance spectroscopy. These results provide a practical framework for the manufacturing of thermoplastic matrix composites. In conclusion, the results presented provide a guide for the strategic optimization of interphase design, showcasing tailorable tensile strengths which outperform any isotactic polypropylene carbon fiber composites previously reported in literature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Observables for scattering on targets with arbitrary spin

Starting from the Weinberg formalism for fields of arbitrary spin, we discuss a method for the decomposition of matrix elements of QCD operators (local currents, quark/gluon bilinears) for targets with arbitrary spin. This procedure is advantageous for the systematic study of the structure of hadrons and nuclei, particularly in the case of spin-dependent observables. As higher spin targets exhibit new features in their hadronic structure, the investigation of these properties can enhance our understanding of the strong force. The construction allows for a unified framework to discuss spin > 1/2 very similar to the spin 1/2 case, without subsidiary conditions for the wave functions. Different types of spinors (canonical, helicity, light-front helicity) can be easily accommodated. Its numerical implementation is simple and can be entirely reduced to objects familiar from the rotation group. A natural sl(2,C) multipole decomposition emerges, enabling a physical interpretation of non-perturbative objects that multiply spinor bilinears as Generalized Form Factors. To demonstrate the efficacy of this method, we apply it to the description of a spin 1 target, such as the deuteron. We discuss extensions of the formalism to hard exclusive processes on the deuteron and beyond.

Vera, Frank↗
DOE OSTI2024

Quantum simulations of hadron dynamics in the Schwinger model using 112 qubits

Hadron wave packets are prepared and time evolved in the Schwinger model using 112 qubits of IBM’s 133-qubit Heron quantum computer ibm_torino. The initialization of the hadron wave packet is performed in two steps. First, the vacuum is prepared across the whole lattice using the recently developed SC-ADAPT-VQE algorithm and workflow. SC-ADAPT-VQE is then extended to the preparation of localized states, and used to establish a hadron wave packet on top of the vacuum. This is done by adaptively constructing low-depth circuits that maximize the overlap with an adiabatically prepared hadron wave packet. Due to the localized nature of the wavepacket, these circuits can be determined on a sequence of small lattices using classical computers, and then robustly scaled to prepare wave packets on large lattices for simulations using quantum computers. Time evolution is implemented with a second-order Trotterization. To reduce both the required qubit connectivity and circuit depth, an approximate quasilocal interaction is introduced. This approximation is made possible by the emergence of confinement at long distances, and converges exponentially with increasing distance of the interactions. Using multiple error-mitigation strategies, up to 14 Trotter steps of time evolution are performed, employing 13,858 two-qubit gates (with a CNOT depth of 370). The propagation of hadrons is clearly identified, with results that compare favorably with Matrix Product State simulations. Finally, prospects for a near-term quantum advantage in simulations of hadron scattering are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Observing the effects of numbers of valence nucleons on 0$^{+}_{𝑔⁡𝑠}$ → 2$^{+}_{1}$ transitions in deformed nuclei by comparing proton and neutron transition matrix elements

We examined the ratios of neutron and proton transition matrix elements, 𝑀 𝑛 /𝑀 𝑝 , for the 0$^{+}_{𝑔⁡𝑠}$ → 2$^{+}_{1}$ transitions in 48 even-even stable nuclei with 𝑁 > 20 for which electromagnetic matrix elements were compiled by Pritychenko et al. and for which high-quality inelastic proton-scattering data were available. Several deformed rare-earth nuclei have (𝑀 𝑛 /𝑀 𝑝 )/(𝑁/𝑍) values significantly below 1.0, which is not consistent with a simple liquid-drop picture. However, this phenomenon can be explained using a schematic picture in which 𝑀 𝑝 reaches a maximum at proton midshell (𝑍 = 66) and 𝑀𝑛 reaches its maximum at neutron midshell (𝑁 = 104). Several midmass vibrational nuclei have 𝑀 𝑛 /𝑀 𝑝 values significantly below 𝑁/𝑍, which is not consistent with the expectation that 𝑀 𝑛 /𝑀 𝑝 = 𝑁/𝑍 in such nuclei. As a result, a shell-model investigation of these observations might yield insights about this behavior.

Collective levels↗
DOE OSTI2025

Determination of proton and neutron contributions to the 0$^+_{𝑔⁡𝑠}$ → 2$^+_{1}$ excitations in 42 Si and 44 S using inelastic proton scattering in inverse kinematics and intermediate-energy Coulomb excitation

Here, we have measured the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition in the neutron-rich 𝑁 = 28 isotope 42 Si using the probes of intermediate-energy Coulomb excitation and inelastic proton scattering in inverse kinematics at the Facility for Rare Isotope Beams with beam particle rates of ≈ 5 particles/s. The results of these two measurements allowed us to determine 𝑀 𝑛 /𝑀 𝑝 , the ratio of the neutron and proton transition matrix elements for the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition. In addition, we have measured the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition in the isotone 44 S using inverse kinematics inelastic proton scattering. By comparing the 44 S proton-scattering result with a recent intermediate-energy Coulomb excitation result on the same transition, we were able to determine 𝑀 𝑛 /𝑀 𝑝 for the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition in this nucleus as well. This work strengthens the evidence that 42 Si has a stable quadrupole deformation in its ground state and that 44 S does not. Both conclusions are further supported by shell-model calculations carried out with the FSU interaction.

39 ≤ A ≤ 58↗
DOE OSTI2023

Multipartite entanglement in the one-dimensional spin- 1 2 Heisenberg antiferromagnet

Multipartite entanglement refers to the simultaneous entanglement between multiple subsystems of a many-body quantum system. While multipartite entanglement can be difficult to quantify analytically, it is known that it can be witnessed through the quantum Fisher information (QFI), a quantity that can also be related to dynamical Kubo response functions. In this work, we first show that the finite temperature QFI can generally be expressed in terms of a static structure factor of the system, plus a correction that vanishes as T→0. This implies that the static structure factor witnesses multipartite entanglement near quantum critical points at temperatures below a characteristic energy scale of the system. Therefore, in systems with a known static structure factor, we can deduce finite temperature scaling of multipartite entanglement and low temperature entanglement depth without knowledge of the full dynamical response function of the system. This is particularly useful to study 1D quantum critical systems in which sub-power-law divergences can dominate entanglement growth, where the conventional scaling theory of the QFI breaks down. Furthermore, the 1D spin- 1 2 antiferromagnetic Heisenberg model is an important example of such a system, and we show that multipartite entanglement in the Heisenberg chain diverges nontrivially as ~ln(1/T) 3/2 . We verify these predictions with calculations of the QFI using conformal field theory and matrix product state simulations. Finally, we discuss the implications of our results for experiments to probe entanglement in quantum materials, comparing to neutron scattering data in KCuF 3 , a material well described by the Heisenberg chain.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Holographic solar systems and hydrogen atoms: non-relativistic physics in AdS and its CFT dual

We study a non-relativistic limit of physics in AdS which retains the curvature through a harmonic Newtonian potential. This limit appears in a CFT dual through the spectrum of operators of large dimension and correlation functions of those operators with appropriate kinematics. In an additional flat spacetime limit, the spectrum is determined by scattering phase shifts (proportional to anomalous dimensions), and a CFT correlation function is proportional to the S-matrix. In particular, we describe the effect of resonances on the spectrum and correlation functions. As an example, we discuss the Coulomb potential (describing solar systems and hydrogen atoms in AdS) in detail.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Single-soft emissions for amplitudes with two colored particles at three loops

We compute the three-loop correction to the universal single-soft emission current for the case of scattering amplitudes with two additional color-charged partons. We present results valid for QCD and $\mathcal{N}$ = 4 super-symmetric Yang-Mills theory. To achieve our results we develop a new integrand expansion technique for scattering amplitudes in the presence of soft emissions. Furthermore, we obtain contributions from single final-state parton matrix elements to the Higgs boson and Drell-Yan production cross section at next-to-next-to-next-to-next-to leading order (N 4 LO) in perturbative QCD in the threshold limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Exploring the tempering behaviour of additively manufactured high-alloy tool steel using synchrotron X-ray and neutron techniques

Post-processing heat treatment provides a critical pathway toward the commercialisation of additively manufactured (AM) S390 high-speed steel, which is a representative high-alloy tool steel employed in precision manufacturing, offering up to 1.5 times longer tool life and over 20% higher cutting speeds compared to conventional grades. In this study, the phase evolution of AM S390 steel during heat treatment, with particular emphasis on carbide precipitation behaviour, was systematically investigated using a combination of synchrotron X-ray and neutron techniques. The metastable M2C carbides were found to dissolve during austenitisation, while the stable primary carbides MC and M6C experienced coarsening with an average size increase of about 60 nm after just 2 min of tempering. Moreover, the austenite lattice parameters reduced from 3.618 to 3.608 Å within the first 10 min of tempering, suggesting carbon depletion in the steel matrix was likely associated with the formation of secondary carbides. This interpretation was substantiated by small-angle scattering results, which revealed the presence of nanoscale precipitates with a volume fraction of 3.1% after 60 min of tempering. These microstructural evolutions collectively accounted for the observed peak hardness of 921 HV. Furthermore, a comparative analysis of synchrotron and neutron small-angle scattering data highlighted the complementary strengths of each technique, offering critical insight into their suitability for characterising nanoscale features in AM high-alloy steels.

Synchrotron X-ray diffraction↗
DOE OSTI2025

Spinon excitations and spin correlations in the one-dimensional quantum magnet β -VOSO 4 probed by Raman spectroscopy

Fractionalized excitations such as spinons and anyons have emerged as a central theme in condensed matter physics with broad implications for superconductivity, quantum statistics, and quantum computation. The nearly ideal one-dimensional S = 1/2 system β-VOSO 4 without long-range order down to 85 mK provides a promising platform to experimentally explore such fractionalized excitations. Here, we employ Raman spectroscopy to probe magnetic excitations and the evolution of spin correlations in β-VOSO 4 . Spinon signatures are found along the chain direction, evidenced by a broad, gapless scattering continuum at low temperatures. The temperature dependence of the spinon spectral weight aligns considerably with numerical density matrix renormalization group calculations. By comparing the experimental spinon spectral weight with calculated results and evaluating the associated quantum Fisher information (QFI) therefrom, we observe a steep increase in QFI upon cooling, indicating rapidly growing correlation lengths. Our study showcases QFI as a probe of spin correlations in quantum magnets.

Wulferding, Dirk [Sejong Univ., Seoul (Korea, Repu↗
DOE OSTI2022

Electric fields and substrates dramatically accelerate spin relaxation in graphene

Electrons in graphene are theoretically expected to retain spin states much longer than most materials, making graphene a promising platform for spintronics and quantum information technologies. Here, in this work, we use first-principles density-matrix (FPDM) dynamics simulations to show that interaction with electric fields and substrates strongly enhances spin relaxation through scattering with phonons. Consequently, the relaxation time at room temperature reduces from microseconds in free-standing graphene to nanoseconds in graphene on the hexagonal boron nitride (hBN) substrate, which is the order of magnitude typically measured in experiments. Further, inversion symmetry breaking by hBN introduces a stronger asymmetry in electron and hole spin lifetimes than predicted by the conventional D'yakonov-Perel' (DP) model for spin relaxation. Deviations from the conventional DP model are stronger for in-plane spin relaxation, resulting in out-of-plane to in-plane lifetime ratios much greater than 1/2 with a maximum close to the Dirac point. These FPDM results, independent of symmetry-specific assumptions or material-dependent parameters, also validate recent modifications of the DP model to explain such deviations. Overall, our results indicate that spin-phonon relaxation in the presence of substrates may be more important in graphene than typically assumed, requiring consideration for graphene-based spin technologies at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Unitary coupled-channel three-body amplitude with pions and kaons

Three-body dynamics above threshold is required for the reliable extraction of many amplitudes and resonances from experiment and lattice QCD. The S-matrix principle of unitarity can be used to construct dynamical coupled-channel approaches in which three particles scatter off each other, rearranging two-body subsystems by particle exchange. This paper reports the development of a three-body coupled-channel, amplitude including pions and kaons. The unequal-mass amplitude contains two-body S- and P-wave subsystems (“isobars”) of all isospins, 𝐼 = 0,1/2,1,3/2,2 , and it also allows for transitions within a given isobar. The 𝑓 0 ⁡(500)⁢(𝜎),𝑓 0 ⁡(980),𝜌⁡(700),𝐾$^{*}_{0}$⁡(700)⁢(𝜅), and 𝐾*⁡(892) resonances are included, apart from repulsive isobars. Different methods to evaluate the amplitude for physical momenta are discussed. Production amplitudes for 𝑎 1 quantum numbers are shown as a proof of principle for the numerical implementation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗