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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Decay of the Λ(1405) hyperon to Σ 0 π 0 measured at GlueX

Among the light baryons, the J π = 1/2 - Λ(1405) hyperon is an important special case as it sits just below the $N\bar{K}$ threshold and decays almost exclusively to Σ π . Some long-standing hypotheses for Λ(1405) are that it could be a $N\bar{K}$ bound state or a Σ π continuum resonance. It may also be considered as a simple quark-model resonance, the P -wave companion of the Λ(1520). In recent years chiral unitary models have suggested that there are two isospin zero poles present in this mass region, and that the “line shape" of the Λ(1405) depends to what extent each of the two poles are stimulated in a given reaction. Below the $N\bar{K}$ threshold, the Λ(1405) decays to the three Σ π charge combinations. The Σ 0 π 0 mode is purely I = 0 and it is uncontaminated by complications arising from I = 1 scattering processes contributing to the reaction mechanism in the Σ + π - and Σ - π + decays. It is also not affected from production and decay of the nearby Σ 0 (1385) hyperon. The GlueX experiment at Jefferson Lab has been used to study the Λ(1405) → Σ 0 π 0 decay mode. We focus on the preliminary results of dσ/dM Σ 0 π 0 and fits to the line shape of the Λ(1405) region in the -( t - t min ) range 0 - 1.5 GeV 2 from analyzing the reaction γp → K + Λ * using the data collected during the first phase of the GlueX program.

Wickramaarachchi, Nilanga↗
DOE OSTI2024

Evaluating Performance Portability with the CMS Heterogeneous Pixel Reconstruction code

In the past years the landscape of tools for expressing parallel algorithms in a portable way across various compute accelerators has continued to evolve significantly. There are many technologies on the market that provide portability between CPU, GPUs from several vendors, and in some cases even FPGAs. These technologies include C++ libraries such as Alpaka and Kokkos, compiler directives such as OpenMP, the SYCL open specification that can be implemented as a library or in a compiler, and standard C++ where the compiler is solely responsible for the offloading. Given this developing landscape, users have to choose the technology that best fits their applications and constraints. For example, in the CMS experiment the experience so far in heterogeneous reconstruction algorithms suggests that the full application contains a large number of relatively short computational kernels and memory transfer operations. In this work we use a stand-alone version of the CMS heterogeneous pixel reconstruction code as a realistic use case of HEP reconstruction software that is capable of leveraging GPUs effectively. We summarize the experience of porting this code base from CUDA to Alpaka, Kokkos, SYCL, std::par, and OpenMP offloading. We compare the event processing throughput achieved by each version on NVIDIA and AMD GPUs as well as on a CPU, and compare those to what a native version of the code achieves on each platform.

Andriotis, Nikolaos↗
DOE OSTI2024

Capture Cavities For The Cw Polarized Positron Source Ce + baf

The initial design of the capture cavities for the continuous wave (CW) polarized positron beams at Jefferson Lab (Ce + BAF) is presented. A chain of standing wave multi-cell copper cavities inside a solenoid tunnel are selected to improve the positron capture efficiency. The cavity design strategy is presented to accommodate constrains from the large phase distribution of the incident beams, RF power and RF heating. A matrix of design parameters’ range are given for future system optimization when the capture cavities are considered together with other sub-systems and beam dynamics. The contents will also be useful for other CW cavity design for beams with large phase space distribution.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Collaborative Tools for the ePIC Experiment

The Electron Ion Collider (EIC) will be built at Brookhaven National Laboratory in the US within the next decade. The ePIC Collaboration (where ePIC stands for electron-Proton and Ion Collider) is actively working on the Technical Design Report (TDR) for its future detector to be used at this facility.. An effective set of Collaborative Tools and an open, collaborative environment are instrumental for the success of this effort. In this presentation we describe the requirements, technology choices and progress in this area.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

An in situ shearing x-ray measurement system for exploring structures and dynamics at the solid–liquid interface

Revealing interfacial structure and dynamics has been one of the essential thematic topics in material science and condensed matter physics. Synchrotron-based x-ray scattering techniques can deliver unique and insightful probing of interfacial structures and dynamics, in particular, in reflection geometries with higher surface and interfacial sensitivity than transmission geometries. We demonstrate the design and implementation of an in situ shearing x-ray measurement system, equipped with both inline parallel-plate and cone-and-plate shearing setups and operated at the advanced photon source at Argonne National Laboratory, to investigate the structures and dynamics of end-tethered polymers at the solid-liquid interface. With a precise lifting motor, a micrometer-scale gap can be produced by aligning two surfaces of a rotating upper shaft and a lower sample substrate. A torsional shear flow forms in the gap and applies tangential shear forces on the sample surface. The technical combination with nanoscale rheology and the utilization of in situ x-ray scattering allow us to gain fundamental insights into the complex dynamics in soft interfaces under shearing. In this work, we demonstrate the technical scope and experimental capability of the in situ shearing x-ray system through the measurements of charged polymers at both flat and curved interfaces upon shearing. Furthermore, through the in situ shearing x-ray scattering experiments integrated with theoretical simulations, we aim to develop a detailed understanding of the short-range molecular structure and mesoscale ionic aggregate morphology, as well as ion transport and dynamics in soft interfaces, thereby providing fundamental insight into a long-standing challenge in ionic polymer brushes with a significant technological impact.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Chemical bond effects in classical site density functional theory of inhomogeneous molecular liquids

Intra-molecular interactions or chemical bonds represent one of the main distinguishing characteristic of molecular fluids. Development of accurate and practical methods to treat these effects is one of the long standing problems in classical site density functional theory (SDFT). One particular instance when these issues become particularly severe is the case of classical interactions potentials with auxiliary sites or dummy atoms. In this situation current SDFT implementations, such as three-dimensional reference interaction site model (3D-RISM), lead to nonphysical results. We re-examine this issue in this work using our recent reformulation of SDFT. We put forward a simple practical solution to this problem, and illustrate its utility for the case of spherical solutes in diatomic liquids.

Chuev, Gennady N.↗
DOE OSTI2020

Stochastic equation of motion approach to fermionic dissipative dynamics. I. Formalism

In this work, we establish formally exact stochastic equation of motion (SEOM) theory to describe the dissipative dynamics of fermionic open systems. The construction of the SEOM is based on a stochastic decoupling of the dissipative interaction between the system and fermionic environment, and the influence of environmental fluctuations on the reduced system dynamics is characterized by stochastic Grassmann fields. Meanwhile, numerical realization of the time-dependent Grassmann fields has remained a long-standing challenge. To solve this problem, we propose a minimal auxiliary space (MAS) mapping scheme with which the stochastic Grassmann fields are represented by conventional c-number fields along with a set of pseudo-levels. This eventually leads to a numerically feasible MAS-SEOM method. The important properties of the MAS-SEOM are analyzed by making connection to the well-established time-dependent perturbation theory and the hierarchical equations of motion theory. The MAS-SEOM method provides a potentially promising approach for the accurate and efficient simulation of fermionic open systems at ultra-low temperatures.

Han, Lu (ORCID:0000000339002225)↗
DOE OSTI2024

High energy electron diffraction instrument with tunable camera length

Ultrafast electron diffraction (UED) stands as a powerful technique for real-time observation of structural dynamics at the atomic level. In recent years, the use of MeV electrons from radio frequency guns has been widely adopted to take advantage of the relativistic suppression of the space charge effects that otherwise limit the temporal resolution of the technique. Nevertheless, there is not a clear choice for the optimal energy for a UED instrument. Scaling to beam energies higher than a few MeV does pose significant technical challenges, mainly related to the inherent increase in diffraction camera length associated with the smaller Bragg angles. In this study, we report a solution by using a compact post-sample magnetic optical system to magnify the diffraction pattern from a crystal Au sample illuminated by an 8.2 MeV electron beam. Our method employs, as one of the lenses of the optical system, a triplet of compact, high field gradients (>500 T/m), small-gap (3.5 mm) Halbach permanent magnet quadrupoles. Shifting the relative position of the quadrupoles, we demonstrate tuning the magnification by more than a factor of two, a 6× improvement in camera length, and reciprocal space resolution better than 0.1 Å –1 in agreement with beam transport simulations.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

From sequence to protein structure and conformational dynamics with artificial intelligence/machine learning

The 2024 Nobel Prize in Chemistry was awarded in part for de novo protein structure prediction using AlphaFold2, an artificial intelligence/machine learning (AI/ML) model trained on vast amounts of sequence and three-dimensional structure data. AlphaFold2 and related models, including RoseTTAFold and ESMFold, employ specialized neural network architectures driven by attention mechanisms to infer relationships between sequence and structure. At a fundamental level, these AI/ML models operate on the long-standing hypothesis that the structure of a protein is determined by its amino acid sequence. More recently, AlphaFold2 has been adapted for the prediction of multiple protein conformations by subsampling multiple sequence alignments. Herein, we provide an overview of the deterministic relationship between sequence and structure, which was hypothesized over half a century ago with profound implications for the biological sciences ever since. We postulate that protein conformational dynamics are also determined, at least in part, by amino acid sequence and that this relationship may be leveraged for construction of AI/ML models dedicated to predicting protein conformational ensembles. Accordingly, we describe a conceptual model architecture, which may be trained on sequence data in combination with conformationally sensitive structural information, coming primarily from nuclear magnetic resonance (NMR) spectroscopy. Notwithstanding certain limitations in this context, NMR offers abundant structural heterogeneity conducive to conformational ensemble prediction. As NMR and other data continue to accumulate, sequence-informed prediction of protein structural dynamics with AI/ML has the potential to emerge as a transformative capability across the biological sciences.

Artificial intelligence↗
DOE OSTI2020

Rethinking the magnetic properties of lepidocrocite: A density functional theory and cluster expansion study

The iron oxyhydroxide lepidocrocite (g-FeOOH) is an abundant mineral critical to a number of chemical and technological applications. Of particular interest is the ground state and nite temperature magnetic order, and the subsequent impact this has upon crystal properties. The magnetic properties, investigated in this work are governed primarily through superexchange interactions, and have been calculated using density functional theory and cluster expansion methods. Quantication of these exchange terms has facilitated the determination of the ground state magneto-crystalline structure and subsequent calculation of its lattice constants, elastic moduli, cohesive enthalpy, and electronic density of states. Further, using a collinear magnetic conguration model, the magnetic heat capacity versus temperature has been studied and the Neel temperature obtained.

Pope, Daniel J.↗
DOE OSTI2020

Experimental demonstration of externally driven millimeter-wave particle accelerator structure

We report the experimental demonstration of a mm-wave electron accelerating structure powered by a high-power rf source. We demonstrate reliable coupling of an unprecedented rf power—up to 575kW into the mm-wave accelerator structure using a quasi-optical setup. This standing wave accelerating structure consists of a single-cell copper cavity and a Gaussian to TM 01 mode converter. The accelerator structure is powered by 110 GHz, 10-ns long rf pulses. These pulses are chopped from 3 microsecond pulses from a gyrotron oscillator using a laser-driven silicon switch. We show an unprecedented high gradient up to 230MV/m that corresponds to a peak surface electric field of more than 520 MV/m. We have achieved these results after conditioning the cavity with more than 100,000 pulses. We also report preliminary measurements of rf breakdown rates, which are important for understanding rf breakdown physics in the millimeter-wave regime. Furthermore, these results open up many frontiers for applications not only limited to the next generation particle accelerators but also x-ray generation, probing material dynamics, and nonlinear light-matter interactions at mm-wave frequency.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Transient work function gating: A new photoemission regime

We present the theoretical basis for a new photoemission regime, transient work function gating (TWFG), which temporally and energetically gates photoemission and produces near-threshold photoelectrons with thermally limited emittance, percent-level quantum efficiency, and control over temporal coherence. The technique consists of actively gating the work function of a generalized photocathode using a non-ionizing long-wavelength optical field to produce an adiabatic modulation of the carrier density at their surface. We examine TWFG as a means to circumvent the long-standing trade-off between low emittance and high quantum efficiency, untethered to particle source or photocathode specifics. TWFG promises new opportunities in photoemission physics for next generation electron and accelerator-based x-ray photon sources.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Inertial dynamics of an interface with interfacial mass flux: Stability and flow fields’ structure, inertial stabilization mechanism, degeneracy of Landau’s solution, effect of energy fluctuations, and chemistry-induced instabilities

This work focuses on the long-standing problem of inertial dynamics of an interface with interfacial mass flux and reports new mechanisms for the interface stabilization and destabilization. The interface is a phase boundary separating fluids of different densities and having interfacial mass flux. To analyze the interface dynamics from a far field, we develop and apply the general matrix method to rigorously solve the boundary value problem involving the governing equations in the fluid bulk and the boundary conditions at the interface and at the outside boundaries of the domain. We find the fundamental solutions for the linearized system of equations and analyze the interplay of interface stability with flow fields’ structure by directly linking rigorous mathematical attributes to physical observables. We find that the interface is stable when the dynamics conserves the fluxes of mass, momentum, and energy; the stabilization is due to an inertial mechanism causing small oscillations of the interface velocity. In the classic Landau’s dynamics, the postulate of perfect constancy of the interface velocity leads to the development of Landau–Darrieus instability. This destabilization is also linked to the imbalance of the perturbed energy at the interface. The classic Landau’s solution is found to have degeneracy; lifting of the degeneracy may lead to singularity and self-similar dynamics. Our results compare well with traditional theories of combustion and propose new experiments to study the dynamics of the interface and the flow fields in combustible systems. We further conduct reactive molecular dynamics simulations to elucidate the complexity of chemical processes, to study the destabilizing effect of energy fluctuations on the interface stability, and to illustrate the chemistry-induced instabilities. In summary, we identify the extreme sensitivity of the interface dynamics to the interfacial boundary conditions, including the formal properties of fundamental solutions and the qualitative and quantitative properties of the flow fields. This provides new opportunities for studies, diagnostics, and control of multiphase flows in a broad range of processes in nature and technology.

42 ENGINEERING↗
DOE OSTI2020

Investigation and validation of the dynamic response of an acoustically levitated particle using the lattice Boltzmann method

The stable levitation of an analyte sample in an acoustic levitator is a primary requirement for accurate x-ray characterization of its scientific structure. A rigid particle oscillates in an under-damped manner when introduced into the node of established standing acoustic waves. This investigation has employed the lattice Boltzmann method (LBM), a computational fluid dynamics technique, for the analysis of such rigid particle dynamics in acoustic levitation. The simulation uses the two dimensional and nine velocity (D2Q9) Bhatnagar-Gross-Krook formulation to levitate a rigid 1.6 mm diameter nylon ($\rho$ = 1150 kg/m 3 ) particle in the air at standard pressure and temperature conditions. The presented work is the first reported simulation of realistic acoustic levitator boundary conditions using the LBM. The simulation can capture the particle-fluid interactions that produce dynamic levitation at less than one-period timescale in the ultrasonic frequency regime. An experiment was conducted by levitating a 1.6mm-diameter nylon sphere to estimate the oscillations, and the oscillating frequency was found to be 50 Hz. The dynamic simulation results are consistent with experimental results for particle oscillations within the same order of magnitude, indicating that LBM formulation can be successfully used to study acoustic levitation to understand and mitigate particle jitter. The distortion of the acoustic field due to a levitating particle's presence was also analyzed to demonstrate how the presence of the particle can disrupt adjacent levitating nodes.

42 ENGINEERING↗
DOE OSTI2021

Nanoscale imaging of Gilbert damping using signal amplitude mapping

Ferromagnetic resonance force microscopy (FMRFM) is a powerful scanned probe technique that uses sub-micrometer-scale, spatially localized standing spin wave modes (LMs) to perform local ferromagnetic resonance (FMR) measurements. In this work, we show the spatially resolved imaging of Gilbert damping in a ferromagnetic material (FM) using FMRFM. Typically damping is measured from the FMR linewidth. We demonstrate an approach to image the spatial variation of Gilbert damping utilizing the LM resonance peak height to measure the LM resonance cone angle. This approach enables determination of damping through field-swept FMRFM at a single excitation frequency. The extreme force sensitivity of similar to 2 fN at room temperature can resolve changes of Gilbert damping as small as ~2 x 10 -4 at 2GHz, corresponding to ~0.16Oe in FMR linewidth resolution. This high sensitivity, high spatial resolution, and single frequency imaging of Gilbert damping creates the opportunity to study spin interactions at the interface between an insulating FM and a small volume of nonmagnetic material such as atomically thin two-dimensional materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Black-Box Optimization for Design of Concentrating Solar Power and Photovoltaic Hybrid Systems with Optimal Dispatch Decisions

The hybridization of concentrating solar power (CSP) and photovoltaics (PV) can enable dispatchable renewable electricity generation at a lower price than current stand-alone CSP systems. However, designing a CSP-PV hybrid system can be challenging because of the many degrees of freedom in design that affect the internal and external system interactions and trade-offs. We develop a methodology to determine optimal designs for CSP-PV hybrids by implementing NLopt's derivative-free, or “black-box,” algorithms around pre-existing CSP-PV hybrid simulation software that utilizes the National Renewable Energy Laboratory’s System Advisor Model (SAM); we then employ a dispatch optimization model to determine operational decisions that maximize a plant’s profits. We present optimal designs for CSP-PV hybrid systems dispatching against four time-of-delivery (ToD) pricing structures. NLopt’s algorithms can improve the base case design’s power purchase agreement (PPA) price by 15% to 21%, depending on the ToD pricing structure. In addition, we present the resulting optimal CSP-PV hybrid design’s annual performance metrics, which tend to have capacity factors between 50% and 62%, but are able to generate electricity during the year’s highest-valued periods about 90% of the time. Lastly, we investigate the trade-offs between capacity factor and PPA price using Pareto fronts and demonstrate that, for some ToD pricing structures, the system capacity factor can increase by 20% but at the expense of a 2% increase in PPA price.

black-box↗
DOE OSTI2021

Magnetic-field generation and its effect on ablative Rayleigh–Taylor instability in diffusive ablation fronts

The effects of self-generated magnetic fields on the ablative Rayleigh–Taylor (RT) instability are investigated in the linear regime. The main governing parameters are the Froude number (Fr), which stands for the ratio between ablative convection and acceleration of the target, and the Mach number at the ablation front (Ma), assumed to be small (isobaricity). During the development of the RT instability, magnetic fields are generated due to misalignment between pressure and density gradients (Biermann-battery effect). They accumulate at the section of the ablation front where the Nernst and the plasma velocities cancel each other. The magnetic field modifies the dynamics of the instability through the Righi–Leduc term, which acts as a heat source in the energy equation. It is found that the B fields affect perturbations with short wavelengths up to the most unstable wave in the spectrum. Here, the B field plays a destabilizing role for moderate Froude numbers and becomes stabilizing for large Froude numbers. For plastic ablators, the Fr threshold is found to be Fr = 5.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Phase-resolved electrical detection of coherently coupled magnonic devices

We demonstrate the electrical detection of magnon-magnon hybrid dynamics in yttrium iron garnet/Permalloy (YIG/Py) thin film bilayer devices. Direct microwave current injection through the conductive Py layer excites the hybrid dynamics consisting of the uniform mode of Py and the first standing spin wave (n=1) mode of YIG, which are coupled via interfacial exchange. Both the two hybrid modes, with Py- or YIG-dominated excitations, can be detected via the spin rectification signals from the conductive Py layer, providing phase resolution of the coupled dynamics. The phase characterization is also applied to a nonlocally excited Py device, revealing the additional phase shift due to the perpendicular Oersted field. Our results provide a device platform for exploring hybrid magnonic dynamics and probing their phases, which are crucial for implementing coherent information processing with magnon excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗