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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Enhanced biochemical sensing with high- Q transmission resonances in free-standing membrane metasurfaces

Optical metasurfaces provide solutions to label-free biochemical sensing by localizing light resonantly beyond the diffraction limit, thereby selectively enhancing light–matter interactions for improved analytical performance. However, high-Q resonances in metasurfaces are usually achieved in the reflection mode, which impedes metasurface integration into compact imaging systems. Here, we demonstrate a metasurface platform for advanced biochemical sensing based on the physics of the bound states in the continuum (BIC) and electromagnetically induced transparency (EIT) modes, which arise when two interfering resonances from a periodic pattern of tilted elliptic holes overlap both spectrally and spatially, creating a narrow transparency window in the mid-infrared spectrum. We experimentally measure these resonant peaks observed in transmission mode (Q ~ 734 at λ ~ 8.8 µm) in free-standing silicon membranes and confirm their tunability through geometric scaling. We also demonstrate the strong coupling of the BIC-EIT modes with a thinly coated PMMA film on the metasurface, characterized by a large Rabi splitting (32 cm -1 ) and biosensing of protein monolayers in transmission mode. Our new photonic platform can facilitate the integration of metasurface biochemical sensors into compact and monolithic optical systems while being compatible with scalable manufacturing, thereby clearing the way for on-site biochemical sensing in everyday applications.

Rosas, Samir [Univ. of Wisconsin, Madison, WI (Uni↗
DOE OSTI2022

A sensitive and specific genetically-encoded potassium ion biosensor for in vivo applications across the tree of life

Potassium ion (K + ) plays a critical role as an essential electrolyte in all biological systems. Genetically-encoded fluorescent K + biosensors are promising tools to further improve our understanding of K + -dependent processes under normal and pathological conditions. Here, we report the crystal structure of a previously reported genetically-encoded fluorescent K + biosensor, GINKO1, in the K + -bound state. Using structure-guided optimization and directed evolution, we have engineered an improved K + biosensor, designated GINKO2, with higher sensitivity and specificity. We have demonstrated the utility of GINKO2 for in vivo detection and imaging of K + dynamics in multiple model organisms, including bacteria, plants, and mice.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Zero-bias conductance peaks at zero applied magnetic field due to stray fields from integrated micromagnets in hybrid nanowire quantum dots

Many recipes for realizing topological superconductivity rely on broken time-reversal symmetry, which is often attained by applying a substantial external magnetic field. Alternatively, using magnetic materials can offer advantages through low-field operation and design flexibility on the nanoscale. Mechanisms for lifting spin degeneracy include exchange coupling, spin-dependent scattering, spin injection – all requiring direct contact between the bulk or induced superconductor and a magnetic material. Here, we implement locally broken time-reversal symmetry through dipolar coupling from nearby micromagnets to superconductor-semiconductor hybrid nanowire devices. Josephson supercurrent is hysteretic due to micromagnets switching. At or around zero external magnetic field, we observe an extended presence of Andreev bound states near zero voltage bias. We also show a zero-bias peak plateau of a non-quantized value. Our findings largely reproduce earlier results where similar effects were presented in the context of topological superconductivity in a homogeneous wire, and attributed to more exotic time-reversal breaking mechanisms [Nat. Phys. 17, 43 (2020)]. In contrast, our stray field profiles are not designed to create Majorana modes, and our data are compatible with a straightforward interpretation in terms of trivial states in quantum dots. At the same time, the use of micromagnets in hybrid superconductor-semiconductor devices shows promise for future experiments on topological superconductivity.

Jiang, Luyao [Univ. of Pittsburgh, PA (United Stat↗
DOE OSTI2026

Emergent pair density wave order across a Lifshitz transition

We numerically investigate the telltale signs of pair-density-wave order (PDW) in the Kondo-Heisenberg chain by focusing on the momentum resolved spectrum in different parameter regimes. Density matrix renormalization group calculations reveal that this phase is characterized by a dispersion with two minima and four Fermi points, indicating the emergence of an effective next-nearest-neighbor hopping that arises as a second-order effect to avoid magnetic frustration. The pairs appear in the spectrum as in-gap bound states with weight concentrated in the hole pockets. The low-energy physics can be understood by means of a generalized t−J model with next-nearest-neighbor hopping. Our results offer a guide for searching for experimental signatures, and for other models that can realize PDW physics.

Yang, Luhang [University of Tennessee Knoxville]↗
DOE OSTI2020

Confronting Dark Matter with the Multiwavelength Sky (Final Technical Report)

The existence of dark matter is a key clue to new fundamental physics, yet its nature and non-gravitational interactions remain mysterious. In the course of this five-year project (spanning July 2015 - July 2020), we have developed novel analysis techniques to separate dark matter signals from astrophysical backgrounds in the inner Galaxy, and measured hitherto-unknown properties of the Fermi Bubbles and the Galactic Center excess in gamma-rays from the inner Milky Way. We have improved predictions for the spatial distribution and energy spectra of photon signals from dark matter, and set new limits from astrophysical and cosmological datasets on dark matter inhabiting complex dark sectors, multi-particle dark matter annihilation, and tiny primordial black holes. We have successfully adapted effective field theory techniques from collider physics to make high-precision predictions for signals from heavy weakly-interacting DM, allowing us to essentially exclude the possibility that DM is a thermal wino, and have discovered novel theoretical and observational implications for dark matter bound states and self-interactions. We have developed a comprehensive public code package for modeling the effects of exotic energy injections, such as from dark matter annihilation and decay, on the ionization and temperature history of the early cosmos, and have used these tools to set robust, powerful and broadly-applicable constraints on models of light dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Molecular theory capability: LANL-PEM-Atomic implements universal descriptions of molecular photoionization

Photoionization of atomic ions, the process through which atoms in bound states absorb radiation by losing electrons, is a vital part of describing radiative transfer in mission-relevant dynamics. The photoionization of molecules dominates radiative transfer of ultraviolet (UV) and extreme UV (EUV) radiation in colder atmospheres (temperature < 30,000 degrees Kelvin). Consequently, air, which is quite transparent to our eyes (i.e., in the visible frequency regime) is remarkably opaque to radiation in much of the UV and EUV frequency regimes. This opacity makes air and other gas systems quite efficient at absorbing UV and EUV radiation, which heats the gas until ionization makes it transparent. This effect is important in describing a host of relevant phenomena, ranging from charge separation in high-altitude nuclear events and the dynamics of a nuclear fireball to the electrostatic discharges (sparks) that complicate weapons disassembly at Pantex.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Connecting Matrix Elements to Multi-Hadron Form-Factors

We discuss developments in calculating multi-hadron form-factors and transition processes via lattice QCD. Our primary tools are finite-volume scaling relations, which map spectra and matrix elements to the corresponding multi-hadron infinite-volume amplitudes. We focus on two hadron processes probed by an external current, and provide various checks on the finite-volume formalism in the limiting cases of perturbative interactions and systems forming a bound state. By studying model-independent properties of the infinite-volume amplitudes, we are able to rigorously define form-factors of resonances.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Fifty ways to build a deuteron: a variational calculation of two-nucleon systems

A variational study of two-nucleon systems with lattice quantum chromodynamics is performed using a wide range of interpolating operators: dibaryon operators built from products of momentum-projected nucleons, hexaquark operators built from six spatially localized quarks, and quasi-local operators inspired by two-nucleon bound-state wavefunctions in nuclear effective field theories. Correlation-function matrices involving products of these operators are constructed by computing timeslice-to-all quark propagators with sparsening techniques. Comparisons between results obtained using the same gauge-field ensemble but different interpolating-operator sets demonstrate that interpolating-operator dependence can lead to significant effects on the two-nucleon energy spectra obtained using both variational and non-variational methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Interpolating the ‘t Hooft model between Instant and Light-Front dynamics in the Coulomb Gauge

The 1+1D model of quantum chromodynamics (QCD) in the infinite number of colors, or 't Hooft model, can be interpolated between the instant form dynamics (IFD) and the light-front dynamics (LFD) using an interpolation parameter 0 (IFD) ≤ δ ≤ π/4 (LFD). This was realized in the interpolating axial gauge which links the axial gauge (A 1 = 0) in IFD and the light-front gauge (A + = 0) [1]. In this presentation, we discuss the corresponding realization in the interpolating Coulomb gauge which links the temporal gauge (A 0 = 0) in IFD and the light-front gauge (A + = 0) and its benefit of resolving the issue associated with the absence of the conjugate field to the gauge field A 0 in the axial gauge. In both gauges, all degrees of freedom are physical making these gauge choices ideal for finding the bound-state equations and for renormalizability. Although the gauge independence of the physical observables such as the meson mass spectra following Regge trajectories may be guaranteed due to the gauge symmetry of QCD, the realization and interpretation of the identical physical results may depend on the gauge choices. Here, we discuss such difference in the realization of the confinement phenomena ala linear potential in the two different gauges, Coulomb vs. Axial, and highlight the gauge independent physical results expected. We also comment on the utility of the interpolation which leads to an alternative quasi-PDF that can be implemented in the lattice QCD without suffering from the large momentum boost.

Duggin, Hunter↗
DOE OSTI2026

SEARCHING FOR MESONIC DARK MATTER WITH THE HEAVY PHOTON SEARCH EXPERIMENT

Several highly-sensitive astrophysical experiments over the past couple of decades have demonstrated that the current abundance of visible Standard Model matter cannot explain galactic rotation curves, the expansion history of the Universe, or the apparent warping of light in empty space. Instead, one finds strong agreement with this body of experimental results upon positing the existence of an invisible particulate field, dark matter. Namely, a cold, weakly interacting dark matter component can explain all these phenomena. A number of accelerator-based experiments have been developed to search for the weak couplings/interactions of these particles, many of them concentrating on particle models with masses of tens to thousands of GeV. A relatively new, well-motivated model is a dark sector coupled to the Standard Model via a dark photon. The current abundance of dark matter can be obtained if one assumes that dark matter is coupled to light by a MeV to GeV particle with a U(1) symmetry. The parameter space of these models remains largely unexplored because they are difficult to probe experimentally. In this thesis, I analyze data from the Heavy Photon Search (HPS) detector, whose two detector halves closely surround the electron beam, providing acceptance to far-forward boosted interactions. This forward acceptance to highly boosted particles yields unprecedented sensitivity to MeV-scale invariant masses. I exhaustively optimize the offline reconstruction of the HPS detector. Each reconstruction object, from Silicon Vertex Tracker hits to tracks, is studied to maximize acceptance of dark matter events. I then use the 2021 run data to search for one model of dark-photon-mediated matter, the Strongly Interacting Massive Particle (SIMP). SIMP models provide self-interacting dark matter candidates that can form bound states resembling dark mesons. HPS can detect SIMPs through the decay of a dark vector boson (either a dark ¿ or ¿) into e+e- pairs. I obtain exclusion contours for SIMPs using both an optimized cuts-based selection and a machine-learning-based selection, advancing our knowledge of the nature of dark matter.

O'Dwyer, Rory [Stanford Univ., CA (United States).↗
DOE OSTI2025

THE STRUCTURE FUNCTION OF THE FREE NEUTRON AT HIGH X-BJORKEN

Understanding the internal structure of nucleons is one of the primary goal of nuclear physicists. As protons and neutrons are only the bound state solution of the QCD lagrangian (at least inside atomic nuclei), studying protons and neutrons helps uncover nuclear struc ture. Due to its easy availability, many studies on protons have been done on a wide range of kinematics. However, free neutron targets are not readily achievable. So, any information on neutrons has to be extracted from neutron-rich nuclei, and some nuclear models have to be used to subtract the contributions from other nucleons to extract the information on neutrons. So, the Barely Off-shell Nucleon Structure (BONuS12) experiment at Jefferson Lab was conducted to overcome these challenges by using spectator tagging. The experiment effectively created a quasi-free neutron target by scattering electrons off a deuterium target and detecting low-momentum, backward-moving protons using a custom-built Radial Time Projection Chamber (RTPC). Selecting the low momentum and backward-moving spectators would enable us to minimize the model-dependent effects due to final state interactions and target fragmentation. The RTPC was a 40 cm-long cylindrical detector that works on the principle of gaseous ionization. It had three layers of Gas Electron Multipliers (GEMs) for charge amplification and a surrounding readout pad. The scattered electrons were measured using the CLAS12 detector, and data were collected using a 10.4 GeV electron beam dur ing Spring and Summer 2020. Using spectator tagging, we extracted the structure function ratio Fn 2 of the quasi-free neutron in the deep inelastic scattering at high x, upto x ~ 0.8. The result was extracted in the region with the invariant mass W > 1.8 GeV/c2, and Q2 in the range 1.3 to 11 GeV2. This dissertation presents the methodology, event selection criteria and refinements, estimation and subtraction of backgrounds, and complete analysis of extraction of Fn 2/Fp 2 in a model-independent way. Also, systematic uncertainties in our final analysis will be discussed in detail.

Pokhrel, Madhusudhan [Old Dominion Univ., Norfolk,↗
DOE OSTI2022

3N potentials in the Faddeev coordinate space approach to Nd scattering

For studying 3N bound states and Nd scattering, the Tucson-Melbourne (TM) and Urbana 3N forces have been derived from the chiral EFT in the momentum representation. Here, the Faddeev equations in configuration space have attractive properties when applied for nd and pd scattering above the two-body threshold. For that reason, we derived components of the TM 3N potential in the coordinate representation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Performing Bayesian Analyses With AZURE2 Using BRICK: An Application to the 7 Be System

Phenomenological R-matrix has been a standard framework for the evaluation of resolved resonance cross section data in nuclear physics for many years. It is a powerful method for comparing different types of experimental nuclear data and combining the results of many different experimental measurements in order to gain a better estimation of the true underlying cross sections. Yet a practical challenge has always been the estimation of the uncertainty on both the cross sections at the energies of interest and the fit parameters, which can take the form of standard level parameters. Frequentist (χ 2 -based) estimation has been the norm. In this work, a Markov Chain Monte Carlo sampler, emcee, has been implemented for the R-matrix code AZURE2, creating the Bayesian R-matrix Inference Code Kit (BRICK). Bayesian uncertainty estimation has then been carried out for a simultaneous R-matrix fit of the 3 He (α,γ) 7 Be and 3 He (α,α) 3 He reactions in order to gain further insight into the fitting of capture and scattering data. Both data sets constrain the values of the bound state α-particle asymptotic normalization coefficients in 7 Be. The analysis highlights the need for low-energy scattering data with well-documented uncertainty information and shows how misleading results can be obtained in its absence.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Learning from knockout reactions using a dispersive optical model

We present the empirical dispersive optical model (DOM) as applied to direct nuclear reactions. The DOM links both scattering and bound-state experimental data through a dispersion relation, which allows for fully consistent, data-informed predictions for nuclei where such data exist. In particular, we review investigations of the electron-induced proton knockout reaction from both 40 Ca and 48 Ca in a distorted-wave impulse approximation (DWIA) utilizing the DOM for a fully consistent description. Viewing these reactions through the lens of the DOM allows us to connect the documented quenching of spectroscopic factors with the increased high-momentum proton content in neutron-rich nuclei. A similar DOM-DWIA description of the proton-induced knockout from 40 Ca, however, does not currently fit in the consistent story of its electron-induced counterpart. With the main difference in the proton-induced case being the use of an effective proton–proton interaction, we suggest that a more sophisticated in-medium interaction would produce consistent results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Ion Binding Properties of a Naturally Occurring Metalloantibody

LT1009 is a humanized version of murine LT1002 IgG1 that employs two bridging Ca2+ ions to bind its antigen, the biologically active lipid sphingosine-1-phosphate (S1P). We crystallized and determined the X-ray crystal structure of the LT1009 Fab fragment in 10 mM CaCl2 and found that it binds two Ca2+ in a manner similar to its antigen-bound state. Flame atomic absorption spectroscopy (FAAS) confirmed that murine LT1002 also binds Ca2+ in solution and inductively-coupled plasma-mass spectrometry (ICP-MS) revealed that, although Ca2+ is preferred, LT1002 can bind Mg2+ and, to much lesser extent, Ba2+. Isothermal titration calorimetry (ITC) indicated that LT1002 binds two Ca2+ ions endothermically with a measured dissociation constant (KD) of 171 μM. Protein and genome sequence analyses suggested that LT1002 is representative of a small class of confirmed and potential metalloantibodies and that Ca2+ binding is likely encoded for in germline variable chain genes. To test this hypothesis, we engineered, expressed, and purified a Fab fragment consisting of naïve murine germline-encoded light and heavy chain genes from which LT1002 is derived and observed that it binds Ca2+ in solution. We propose that LT1002 is representative of a class of naturally occurring metalloantibodies that are evolutionarily conserved across diverse mammalian genomes.

Farokhi, Elinaz↗
DOE OSTI2025

Hybrid Basis and Multi-Center Grid Method for Strong-Field Processes

We present a time-dependent framework that combines a hybrid basis, consisting of Gaussian-type orbitals (GTOs) and finite-element discrete-variable representation (FEDVR) functions, with a multicenter grid to simulate strong-field and attosecond dynamics in atoms and molecules. The method incorporates the construction of the orthonormal hybrid basis, the evaluation of electronic integrals, a unitary time-propagation scheme, and the extraction of optical and photoelectron observables. Its accuracy and robustness are benchmarked on one-electron systems such as atomic hydrogen and the dihydrogen cation (H$^+_2$) through comparisons with essentially-exact reference results for bound-state energies, high-harmonic generation spectra, photoionization cross sections, and photoelectron momentum distributions. This work establishes the groundwork for its integration with quantum-chemistry methods, which is already operational but will be detailed in future work, thereby enabling ab initio simulations of correlated polyatomic systems in intense ultrafast laser fields.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Long-Range Allosteric Communication Modulated by Active Site Mn(II) Coordination Drives Catalysis in Xanthobacter autotrophicus Acetone Carboxylase

Acetone carboxylase (AC) from Xanthobacter autotrophicus is a 360 KDa α2β2γ2 heterohexamer that catalyzes the ATP-dependent formation of phosphorylated acetone and bicarbonate intermediates that react at Mn(II) metal active sites to form acetoacetate. Structural models of X. autotrophicus AC (XaAC) with and without nucleotides reveal that the binding and phosphorylation of the two substrates occurs ~40 Å from the Mn(II) active sites where acetoacetate is formed. Based on the crystal structures, a significant conformational change was proposed to open and close a tunnel that facilitates the passage of reaction intermediates between the sites for nucleotide binding and phosphorylation of substrates and Mn(II) sites of acetoacetate formation. We have employed electron paramagnetic resonance (EPR), kinetic assays, and hydrogen/deuterium exchange mass spectrometry (HDX-MS) of poised ligand-bound states and site-specific amino acid variants to complete an in-depth analysis of Mn(II) coordination and allosteric communication throughout the catalytic cycle. In contrast with the established paradigms for carboxylation, our analyses of XaAC suggested a carboxylate shift that couples both local and long-range structural transitions. Shifts in the coordination mode of a single carboxylic acid residue (αE89) mediate both catalysis proximal to a Mn(II) center and communication with an ATP active site in a separate subunit of a 180 kDa α2β2γ2 complex at a distance of 40 Å. This work demonstrates the power of combining structural models from X-ray crystallography with solution-phase spectroscopy and biophysical techniques to elucidate functional aspects of a multi-subunit enzyme.

Biochemistry & Molecular Biology↗
DOE OSTI2023

Measurements of J/ ψ Production vs. Event Multiplicity in Forward Rapidity in p + p Collisions in the PHENIX Experiment

J / Ψ, a charmonium bound state made of a charm and an anti-charm quark, was discovered in the 1970s and confirmed the quark model. Because the mass of charm quarks is significantly above the quantum chromodynamics (QCD) scale Λ QCD , charmonia are considered excellent probes to test perturbative quantum chromodynamics (pQCD) calculations. In recent decades, they have been studied extensively at different high-energy colliders. However, their production mechanisms, which involve multiple scales, are still not very well understood. Recently, in high-multiplicity p + p collisions at RHIC and at the LHC, a significant enhancement of J / Ψ production yield has been observed, which suggests a strong contribution of multi-parton interaction (MPI). This is different from the traditional pQCD picture, where charm quark pairs are produced from a single hard scattering between partons in p + p collisions. In this work, we will report the J / Ψ normalized production yield as a function of normalized charged particle multiplicity over a board range of rapidity and event multiplicity in the J / Ψ → μ + μ – channel with PHENIX Run 15 p + p data at $\sqrt s$ =200 GeV. The results are compared with PYTHIA 8 simulations with the MPI option turned on and off. Finally, the outlooks of J / Ψ in p + Au and Au + p collisions, along with color glass condensate (CGC) predictions and the multiplicity-dependent Ψ(2S) /J / Ψ ratio in p + p data, will be briefly discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗