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At least 235 records · Page 13

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DOE OSTI2026

Influence of Markovianity and self-consistency on time-resolved spectral functions of driven quantum systems

We present a systematic comparison of the real-time Dyson expansion (RTDE) with established nonequilibrium Green's function (GF) approaches for simulating driven, interacting quantum systems. Focusing on density matrix dynamics, time-off-diagonal GFs, and time-resolved photoemission spectra, we benchmark RTDE against fully self-consistent Kadanoff-Baym equation (KBE) calculations, the generalized Kadanoff-Baym ansatz, and exact diagonalization for small systems using second-order many-body perturbation theory. Using a driven two-band Hubbard model, we show that mean-field single-particle density matrix trajectories provide a reliable baseline for RTDE across a broad range of interaction strengths and excited-carrier populations. Further, RTDE accurately captures correlation effects in the GFs, including long-lived oscillations and revivals that are strongly suppressed by the overdamping inherent to self-consistent KBE schemes. As a consequence, RTDE resolves rich nonequilibrium spectral structure in time-resolved photoemission, such as interaction- and population-dependent quasiparticle splittings and band gap renormalization, which are largely washed out in self-consistent approaches yet are present in exact solutions. Furthermore, our results demonstrate that RTDE bridges the gap between mean-field propagation and full two-time KBE simulations, retaining favorable linear scaling while capturing essential dynamical correlations relevant for ultrafast spectroscopy.

Electronic structure↗

DOE OSTI2026

Transformer-based operator learning framework for self-energy in strongly correlated systems

We introduce Σ-Attention, a transformer-based operator-learning framework for approximating the self-energy operator of strongly correlated electronic systems. By creating a batched dataset that combines results from three complementary approaches, i.e., many-body perturbation theory, strong-coupling expansion, and exact diagonalization, each effective in specific parameter regimes, Σ-Attention is applied to learn an accurate approximation for the self-energy operator that is valid across a wide range of parameter regimes. This hybrid strategy leverages the strengths of existing methods while relying on the transformer's ability to generalize beyond individual limitations. More importantly, the scalability of the transformer architecture allows the learned self-energy to be extended to systems with larger sizes, leading to much improved computational scaling. Using the one-dimensional Hubbard model, we demonstrate that Σ-Attention can accurately predict the Matsubara Green's function of large systems with a wide range of coupling strength. Our framework offers a promising and scalable pathway for studying strongly correlated systems with many possible generalizations.

Zhu, Yuanran↗

DOE OSTI2024

Self-Focused Pulse Propagation Is Mediated by Spatiotemporal Optical Vortices

We show that the dynamics of high-intensity laser pulses undergoing self-focused propagation in a nonlinear medium can be understood in terms of the topological constraints imposed by the formation and evolution of spatiotemporal optical vortices (STOVs). STOVs are born from point phase defects on the sides of the pulse nucleated by spatiotemporal phase shear. These defects grow into closed loops of spatiotemporal vorticity that initially exclude the pulse propagation axis, but then reconnect to form a pair of toroidal vortex rings that wrap around it. STOVs constrain the intrapulse flow of electromagnetic energy, controlling the focusing-defocusing cycles and pulse splitting inherent to nonlinear pulse propagation. Here, we illustrate this in two widely studied but very different regimes, relativistic self-focusing in plasma and nonrelativistic self-focusing in gas, demonstrating that STOVs mediate nonlinear propagation irrespective of the detailed physics.

42 ENGINEERING↗

DOE OSTI2025

Enabling Strong Neutrino Self-Interaction with an Unparticle Mediator

Recent explorations of the cosmic microwave background and the large-scale structure of the universe have indicated a preference for sizable neutrino self-interactions, much stronger than what the standard model offers. When interpreted in the context of simple particle-physics models with a light, neutrinophilic scalar mediator, some of the hints are already in tension with the combination of terrestrial, astrophysical, and cosmological constraints. We take a novel approach by considering neutrino self-interactions through a mediator with a smooth, continuous spectral density function. We consider Georgi’s unparticle with a mass gap as a concrete example and point out two useful effects for mitigating two leading constraints. (i) The Unparticle is “broadband’—it occupies a wide range of masses which allows it to pass the early universe constraint on effective number of extra neutrinos ( Δ N eff ) even if the mass gap lies below the MeV scale. (ii) Scattering involving unparticles is less resonant, which lifts the constraint set by IceCube based on a recent measurement of ultra-high-energy cosmogenic neutrinos. Our analysis shows that an unparticle mediator can open up ample parameter space for strong neutrino self-interactions of interest to cosmology and serves a well-motivated target for upcoming experiments. Published by the American Physical Society 2025

Foroughi-Abari, Saeid (ORCID:0000000294061896)↗

DOE OSTI2025

Self-generated electrokinetic flows from active-charged boundary patterns

We develop a hydrodynamic description of self-generated electrolyte flow in capillaries whose bounding walls feature nonuniform distributions of charge nonuniform active ionic fluxes. The hydrodynamic velocity arising in such a system has components that are forbidden by symmetry in the absence of charge and fluxes. However, when these two boundary mechanisms are simultaneously present, they can lead to a symmetry broken state where steady flows with both unidirectional and circulatory components emerge. We show that these flow states arise when modulated boundary patterns of charge and fluxes are offset by a flux-charge phase difference, which is associated with the separation between sites of their peak densities on the wall. Mismatch in diffusivity of cationic and anionic species can modify the flow states and becomes an enhancing factor when fluxes of both ion species are being produced together at the same site. We demonstrate that this mechanism can be realized with a microfluidic generator that is powered by enzyme-coated patches that catalyze reactants in the solution to produce fluxes of ions. The local ionic elevation or depletion, which disrupts a nonuniform double layer, promotes self-induced gradients yielding persistent body forces to generate bulk fluid motion. Our work quantifies a boundary-driven mechanism behind self-sustained electrolyte flow in confined environments that exists without any external bulk-imposed fields or gradients. It provides a theoretical framework for understanding the combined effect of active and charged boundaries that are relevant in biological or soft matter systems, and can be utilized in electrofluidic and iontronic applications.

active matter↗

DOE OSTI2025

Supramolecular bending and twisting in the hierarchical self-assembly of monodisperse mesogenic oligomers

Understanding how different forms of supramolecular curvature arise during assembly is crucial to designing and tuning the microstructure of hierarchically self-assembled materials. Here, we show that in crystalline phases of mesogenic oligomers, the oligomer length is a critical parameter that determines the type of curvature (Gaussian or cylindrical) exhibited by the self-assembled structures. We use iterative exponential growth to synthesize monodisperse mesogenic oligomers ranging from dimer to octamer. By analyzing their phase behavior and microstructure, we elucidate how length-dependent thermodynamic and kinetic effects tune their hierarchical degree of ordering. The oligomers’ length-dependent crystalline order drives the formation of scrolled sheets in shorter oligomers and twisted ribbons in longer oligomers. These studies highlight how oligomer length interplays with mesogen geometry and crystalline packing to drive self-assembly, introducing oligomer length as a powerful design parameter toward tailored applications of mesogenic systems.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Self-Consistent Relativistic Electron Scattering using the Sherlock Scattering Model for X-ray Diagnostics

We present on a new, self-consistent, arbitrary-temperature Romberg integration scheme for modeling electron scattering in materials in a LANL Lagrangian Shock Hydro (LSH) code. Electron beam-target interactions are fundamental to a wide range of scientific and technological applications. When high-energy electron beams hit their target, they may scatter, deposit energy, or ionize the source. These processes govern the behavior and outcomes in nanotechnology manufacturing, electron microscopy, and modern X-ray diagnostics. Simulating these interactions is essential for interpreting experimental results, predicting material responses, and designing efficient tools and experiments. At Los Alamos, this is done using a LSH code, which is a multi-dimension, multi-material, massively parallel, multi-physics code used to simulate applications from asteroid impacts to electron beam interactions. By effectively and efficiently modeling the way that electrons scatter from the beam we can bolster these simulations and more accurately predict experimental outcomes. The model currently implemented in the LSH of interest is based on work by Papp and does not self-consistently preserve momentum in the slightly relativistic regime; here we adopt a model proposed by Braams and Karney and implement a Romberg integration scheme to compute the diffusion tensor. In this paper we will provide background on the Braams-Karney diffusion tensor as well as the Romberg integration scheme we employed to numerically solve for it. We will show that our integration scheme is accurate in solving for the set of scalar potentials used to re-express the diffusion tensor in differential form, and in solving for the diffusion coefficients in the larger LSH code. By using this diffusion tensor rather than the existing Papp one, and numerically integrating it with a Romberg method, we produce much more accurate, self-consistent results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Systematic Study of the Self-Renormalized Nucleon Gluon PDF in Large-Momentum Effective Theory

We present a systematic study of the nucleon gluon parton distribution function (PDF) using the self-renormalized large-momentum effective theory (LaMET) approach in lattice QCD. This work extends previous gluon-PDF extractions by performing a detailed analysis of key systematic effects, including gauge-link smearing, lattice spacing, pion mass, and nucleon boost momentum. The self-renormalization framework mitigates ultraviolet divergences associated with Wilson-line self-energy and renormalon contributions by combining lattice matrix elements with perturbative short-distance information, thereby preserving the correct infrared structure. Calculations are performed on $N_f=2+1+1$ HISQ ensembles generated by the MILC Collaboration at three lattice spacings and two pion masses, with boosted nucleon states reaching momenta up to 2.2~GeV. We determine renormalization factors from zero-momentum matrix elements and apply hybrid renormalization to suppress discretization artifacts. After extrapolating large-separation behavior and performing Fourier transforms, we reconstruct quasi-PDFs and match them to lightcone PDFs using next-to-leading order Wilson coefficients. Our results demonstrate that smearing and lattice-spacing effects are under control, and pion-mass and lattice-spacing dependence is mild relative to the current $O(10^6)$ statistics; however, momentum dependence remains a significant source of uncertainty. Future work including even larger boost momenta will be essential to reduce systematics in lattice determinations of the gluon PDF and to advance toward precision QCD phenomenology at the LHC and the future Electron-Ion Collider.

FOS: Physical sciences↗

NASA NTRS1972

New circumferential seal design concept using self-acting lift geometries

Seal operating temperatures, leakage (pressurizing gas flow), torque, and wear of a conventional circumferential shaft seal were measured and compared to those of a conventional seal modified to have self-acting lift geometries. Both seal types had a 2.625-in diameter bore and were operated at a sliding velocity of 150 ft/sec with differential pressures ranging from 0 to 100 psi. Results of this investigation show that the self-acting seal operated at lower bulk carbon temperatures with half the torque and approximately one-tenth the wear of the conventional seal. Seal leakage of the self-acting seal was of order of 0.04 scfm for pressures above 60 psi which is well within the accepted range for gas turbine engine applications.

Hady, W. F.↗

NASA NTRS1972

Predicting spacecraft self-contamination in space and in a test chamber

The self-contamination of spacecraft (defined as the return and deposition of outgassed molecules on its critical surfaces, either in orbit or while undergoing vacuum) is considered. Theoretical relations for the flux, density, and pressure of the emitted gas as a function of altitude, radius, and distance from the spacecraft surface are developed. The flux of the outgassed molecules that return to the emitting surface is also obtained and shown to be dependent on altitude, spacecraft dimensions, and the magnitude of outgassing. The rate of condensation and the time for the formation of a monolayer of the returning molecules can be calculated. The self-contamination of spacecraft undergoing vacuum chamber test is also theoretically examined and compared with the equivalent parameters for orbit conditions. It is concluded that, depending on the dimensions of the spacecraft relative to those of the chamber and the wall capture coefficient, ground tests conducted in the more usual space simulation chambers can provide returning fluxes and self-contamination comparable to those occurring in space up to an altitude of about 400 km. For higher altitudes and return fluxes less than 0.001 of those emitted, the chamber test can produce a greater contamination. In this case, the ground results can be related to those obtained in space, provided that the wall capture coefficient is known or if the ratio of returned to emitted flux at the spacecraft surface is measured.

Scialdone, J. J.↗

NASA NTRS1972

Self-diffusion of carbon and oxygen in dolomite.

Self-diffusion of carbon and oxygen in dolomite was measured by isotopic exchange with CO2 at 645-785 C at 120-935 bars pressure. Several runs were also made with calcite under comparable experimental conditions. The principal findings of this study are that (1) the self-diffusion coefficients of both carbon and oxygen in dolomite are approximately 100 times larger than the values in calcite over the temperature range investigated and (2) oxygen self-diffusion in calcite is accelerated by high CO2 pressure.

Anderson, T. F.↗

NASA NTRS1973

Self-acting and hydrodynamic shaft seals

Self-acting and hydrodynamic seals are described. The analytical procedures are outlined for obtaining a seal force balance and the operating film thickness. Particular attention is given to primary ring response (seal vibration) to rotating seat face runout. This response analysis revealed three different vibration modes. Proposed applications of self-acting seals in gas turbine engines and in rocket vehicle turbopumps are described. Also experimental data on self-acting face seals operating under simulated gas turbine conditions are given; these data show the feasibility of operating the seal at conditions of 345 newtons per square centimeter (500 psi) and 152 meters per second (500 ft/sec) sliding speed.

Ludwig, L. P.↗

NASA NTRS1973

Self-acting and hydrodynamic shaft seals.

Ludwig, L. P.↗

NASA NTRS1975

Source self-mixing in the detection of extended incoherent sources

We consider the self-beating of incoherent light from an extended source at a wideband photomixer. The intermediate frequency mean squared current is found to be proportional to the product of the direct detected source power and the power within the IF bandpass about the optical frequency and within the heterodyne field of view. Thus the ratio of the heterodyne signal to self-beating power is proportional to the ratio of local oscillator power to direct detected power. This ratio is usually large for systems employing efficient local oscillators that generate shot-noise-limited operation. In less efficient systems, such as those employing tunable diode lasers, the effects of self-mixing may be significant.

Cohen, S. C.↗

NASA NTRS1974

Simulator verification techniques study. Integrated simulator self test system concepts

Software and hardware requirements for implementing hardware self tests are presented in support of the development of training and procedures development simulators for the space shuttle program. Self test techniques for simulation hardware and the validation of simulation performance are stipulated. The requirements of an integrated simulator self system are analyzed. Readiness tests, fault isolation tests, and incipient fault detection tests are covered.

Montoya, G.↗

NASA NTRS1976

Theoretical study of self-balancing missiles

A theoretical study based on linear theory is presented for two types of 'self-balancing' missiles, designed to accelerate vertically or laterally without pitching or yawing. One type of missile had a variable-incidence wing and the other type had wing flaps to provide acceleration. The main objective of this investigation is to compare the maximum available acceleration for these self-balancing missiles with that of conventional pitching-type missiles. Ten different configurations were considered. The results indicate that self-balancing missiles with either variable wing incidence or wing flaps are feasible, but that the maximum available acceleration for these missiles is less than for a conventional pitching-type missile having the same wing and tail surfaces.

Hopkins, E. J.↗

NASA NTRS1977

Correlation of self-contamination experiments in orbit and scattering return flux calculations

Gaseous emissions from a spacecraft modify the orbital environment degrade the observations of distant radiation sources, and provide contamination fluxes induced by self-scattering and scattering with ambient particles. Experiments were carried out on the orbiting Atmospheric Explorer-D satellite (AE-D) to verify the calculated return fluxes of a neon source. Known rates of neon were emitted in the direction of the velocity on command to the Molecular Return Measurement Unit (MRMU). At 250 km, the neutral mass spectrometer indicated a total neon return flux of .0246 times the emitted flux. The calculated fraction was .0123, including .00354 for the ambient scatter and .00354 for the altitude independent self-scatter. The pressure gages indicated return pressure less than .000933Pa .000007 at altitudes from 161 to 210 km. The maximum return pressure for 161-km orbit was calculated as 7.3 x 10-7 including a self scattering contribution of .000024 Pa .000000018.

Scialdone, J. J.↗

NASA NTRS1977

A computer software system for the generation of global ocean tides including self-gravitation and crustal loading effects

A computer software system is described which computes global numerical solutions of the integro-differential Laplace tidal equations, including dissipation terms and ocean loading and self-gravitation effects, for arbitrary diurnal and semidiurnal tidal constituents. The integration algorithm features a successive approximation scheme for the integro-differential system, with time stepping forward differences in the time variable and central differences in spatial variables. Solutions for M2, S2, N2, K2, K1, O1, P1 tidal constituents neglecting the effects of ocean loading and self-gravitation and a converged M2, solution including ocean loading and self-gravitation effects are presented in the form of cotidal and corange maps.

Estes, R. H.↗