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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Numerical fluid dynamics for FRG flow equations: Zero-dimensional QFTs as numerical test cases. II. Entropy production and irreversibility of RG flows

Herein we demonstrate that the reformulation of renormalization group (RG) flow equations as nonlinear heat equations has severe implications on the understanding of RG flows in general. We demonstrate by explicitly constructing an entropy function for a zero-dimensional Z 2 -symmetric model that the dissipative character of generic nonlinear diffusion equations is also hard-coded in the functional RG equation. This renders RG flows manifestly irreversible, revealing the semigroup property of RG transformations on the level of the flow equation itself. Additionally, we argue that the dissipative character of RG flows, its irreversibility and the entropy production during the RG flow may be linked to the existence of a so-called C– / A-function. In total, this introduces an asymmetry in the so-called RG time—in complete analogy to the thermodynamic arrow of time—and allows for an interpretation of infrared actions as equilibrium solutions of dissipative RG flows equations. The impossibility of resolving microphysics from macrophysics is evident in this framework. Furthermore, we directly link the irreversibility and the entropy production in RG flows to an explicit numerical entropy production, which is manifest in diffusive and non-linear partial differential equations (PDEs) and a standard mathematical tool for the analysis of PDEs. Using exactly solvable zero-dimensional Z 2 -symmetric models, we explicitly compute the (numerical) entropy production related to the total variation nonincreasing property of the PDE during RG flows toward the infrared limit. Finally, we discuss generalizations of our findings and relations to the C– / A-theorem as well as how our work may help to construct truncations of RG flow equations in the future, including numerically stable schemes for solving the corresponding PDEs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2005

Design of the Protocol Processor for the ROBUS-2 Communication System

The ROBUS-2 Protocol Processor (RPP) is a custom-designed hardware component implementing the functionality of the ROBUS-2 fault-tolerant communication system. The Reliable Optical Bus (ROBUS) is the core communication system of the Scalable Processor-Independent Design for Enhanced Reliability (SPIDER), a general-purpose fault tolerant integrated modular architecture currently under development at NASA Langley Research Center. ROBUS is a time-division multiple access (TDMA) broadcast communication system with medium access control by means of time-indexed communication schedule. ROBUS-2 is a developmental version of the ROBUS providing guaranteed fault-tolerant services to the attached processing elements (PEs), in the presence of a bounded number of faults. These services include message broadcast (Byzantine Agreement), dynamic communication schedule update, time reference (clock synchronization), and distributed diagnosis (group membership). ROBUS also features fault-tolerant startup and restart capabilities. ROBUS-2 tolerates internal as well as PE faults, and incorporates a dynamic self-reconfiguration capability driven by the internal diagnostic system. ROBUS consists of RPPs connected to each other by a lower-level physical communication network. The RPP has a pipelined architecture and the design is parameterized in the behavioral and structural domains. The design of the RPP enables the bus to achieve a PE-message throughput that approaches the available bandwidth at the physical layer.

Torres-Pomales, Wilfredo↗
DOE OSTI2020

Dynamic Ligand Surface Chemistry of Excited PbS Quantum Dots

The ligand shell around colloidal quantum dots mediates the electron and energy transfer processes that underpin their use in optoelectronic and photocatalytic applications. In this work, we show that the surface chemistry of carboxylate anchoring groups of oleate ligands passivating PbS quantum dots undergoes significant changes when the quantum dots are excited to their excitonic states. Additionally, we directly probe the changes of surface chemistry using time-resolved mid-infrared spectroscopy that records the evolution of the vibrational frequencies of carboxylate groups following excitation of the electronic states. The data reveal a reduction of the Pb-O coordination of carboxylate anchoring groups to lead atoms at the quantum dot surfaces. The dynamic surface chemistry of the ligands may increase their surface mobility in the excited state and enhance the ability of molecular species to penetrate the ligand shell to undergo energy and charge transfer processes that depend sensitively on distance.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Odd–Even Structural Sensitivity on Dynamics in Network-Forming Ionic Liquids

As a compelling case of sensitive structure–property relationship, an odd–even effect refers to the alternating trend of physical or chemical properties on odd/even number of repeating structural units. In crystalline or semicrystalline materials, such odd–even effects emerge as manifestations of differences in the periodic packing patterns of molecules. Therefore, due to the lack of long-range order, such an odd–even phenomenon is not expected for dynamic properties in amorphous state. Herein, we report the discovery of a remarkable odd–even effect of dynamical properties in the liquid phase. In a class of glass-forming diammonium citrate ionic liquids, using incoherent quasi-elastic neutron scattering measurements, we measured the dynamical properties including diffusion coefficient and rotational relaxation time. These directly measured molecular dynamics showed pronounced alternating trends with increased number of methylene (-CH2-) groups in the backbone. Meanwhile, the structure factor S(Q) showed no long-range periodic packing of molecules, while the pair distribution function G(r) revealed subtle differences in the local molecular morphology. The observed dynamical odd–even phenomenon in liquids showed that profound dynamical changes originate from subtle local structural differences.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Photon phase-space dynamics in a plasma wakefield accelerator

Frequency up-shifting of laser light in a beam-driven plasma wakefield has the potential to provide high-intensity sources of short wavelength radiation. Simulations have demonstrated that a laser pulse can undergo large frequency shifts, limited only by the drive beam energy, when the plasma density is tailored to match the accelerating phase of the wake to the group velocity of the pulse. Here, we study the dynamical evolution of photons in the 1D1P phase-space vicinity of the plasma wake-phase matching condition. Numerical calculations using a photon kinetic model are validated by direct comparison with 1D and quasi-3D particle-in-cell simulations. These calculations form the basis of a linear theory of the photon dynamics which reveals several important results, including scalings for the properties of the witness pulse and a self-similar solution for the photon phase-space dynamics. One prediction of the analytic theory is that the pulse can be compressed indefinitely, though the amount of compression would ultimately be limited by practical constraints. These results suggest that photon acceleration can provide a novel source of sub-femtosecond, short wavelength radiation.

XUV generation↗
DOE OSTI2022

Possibilities and Limitations of Kinematically Identifying Stars from Accreted Ultra-faint Dwarf Galaxies

Abstract The Milky Way has accreted many ultra-faint dwarf galaxies (UFDs), and stars from these galaxies can be found throughout our Galaxy today. Studying these stars provides insight into galaxy formation and early chemical enrichment, but identifying them is difficult. Clustering stellar dynamics in 4D phase space ( E , L z , J r , J z ) is one method of identifying accreted structure that is currently being utilized in the search for accreted UFDs. We produce 32 simulated stellar halos using particle tagging with the Caterpillar simulation suite and thoroughly test the abilities of different clustering algorithms to recover tidally disrupted UFD remnants. We perform over 10,000 clustering runs, testing seven clustering algorithms, roughly twenty hyperparameter choices per algorithm, and six different types of data sets each with up to 32 simulated samples. Of the seven algorithms, HDBSCAN most consistently balances UFD recovery rates and cluster realness rates. We find that, even in highly idealized cases, the vast majority of clusters found by clustering algorithms do not correspond to real accreted UFD remnants and we can generally only recover 6% of UFDs remnants at best. These results focus exclusively on groups of stars from UFDs, which have weak dynamic signatures compared to the background of other stars. The recoverable UFD remnants are those that accreted recently, z accretion ≲ 0.5. Based on these results, we make recommendations to help guide the search for dynamically linked clusters of UFD stars in observational data. We find that real clusters generally have higher median energy and J r , providing a way to help identify real versus fake clusters. We also recommend incorporating chemical tagging as a way to improve clustering results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Astrophysical Implications of a New Dynamical Mass for the Nearby White Dwarf 40 Eridani B

The bright, nearby DA-type white dwarf (WD) 40 Eridani B is orbited by the M dwarf 40 Eri C, allowing determination of the WD’s mass. Until recently, however, the mass depended on orbital elements determined four decades ago, and that mass was so low that it created several astrophysical puzzles. Using new astrometric measurements, the binary-star group at the U.S. Naval Observatory has revised the dynamical mass upward, to 0.573 ± 0.018 M {sub ☉}. In this paper, we use model-atmosphere analysis to update other parameters of the WD, including effective temperature, surface gravity, radius, and luminosity. We then compare these results with WD interior models. Within the observational uncertainties, theoretical cooling tracks for CO-core WDs of its measured mass are consistent with the position of 40 Eri B in the H-R diagram; equivalently, the theoretical mass–radius relation (MRR) is consistent with the star’s location in the mass–radius plane. This consistency is, however, achieved only if we assume a “thin” outer hydrogen layer, with q {sub H} = M {sub H}/ M {sub WD} ≃ 10{sup −10}. We discuss other evidence that a significant fraction of DA WDs have such thin H layers, in spite of the expectation from canonical stellar-evolution theory of “thick” H layers with q {sub H} ≃ 10{sup −4}. The cooling age of 40 Eri B is ∼122 Myr, and its total age is ∼1.8 Gyr. We present the MRRs for 40 Eri B and three other nearby WDs in visual binaries with precise mass determinations, and show that the agreement of current theory with observations is excellent in all cases.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Interpreting experimental measurements of helium bubbles using stochastic cluster dynamics models of heterogeneous nucleation and growth in irradiated ferritic alloys

Among a number of other advantageous features, ferritic/martensitic steels are being considered as fusion reactor structural materials due to their low intrinsic swelling under irradiation. However, under high-energy neutron irradiation, He produced through (n, α) reactions stabilizes vacancy clusters, which then act as seeds for bubble formation and growth, negating the intrinsic swelling resistance of these alloys. Standard models of irradiation damage accumulation and microstructural evolution consider homogeneous nucleation as the basis for bubble formation and growth. However, this generally does not explain the large bubble densities and sizes observed experimentally under a number of different conditions. Here, we propose a more realistic physical model of bubble nucleation, formation, and growth designed to capture recent experimental measurements of He-bubble formation and evolution during co-implantation of He and Fe ions in model ferritic alloys. We find that experimental results are explained only when the following three features are considered simultaneously: (i) heterogeneous nucleation of He-vacancy bubbles at defect sinks (e.g., dislocations, grain boundaries, and second-phase precipitates), (ii) nucleation and growth of bubbles via the ‘trap mutation’ mechanism (i.e., spontaneous production of Frenkel pairs due to absorption of He atoms), and (iii) transition from a growth-limited, He-stabilized bubble regime to a ‘runaway’ void-type growth scenario. The model is implemented into a stochastic cluster dynamics framework that takes advantage of cluster size grouping methods to accelerate the simulations, allowing us to reach 10 dpa of simulated irradiated dose, and to capture cluster sizes in excess of 20 nm. Further, a careful extrapolation exercise conducted assuming classical nucleation theory leads to excellent agreement with the experimental measurements at 50 dpa of irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Optical/X-ray/radio view of Abell 1213: A galaxy cluster with anomalous diffuse radio emission

Context. Abell 1213, a low-richness galaxy system, is known to host an anomalous radio halo detected in data of the Very Large Array (VLA). It is an outlier with regard to the relation between the radio halo power and the X-ray luminosity of the parent clusters. Aims. Our aim is to analyze the cluster in the optical, X-ray, and radio bands to characterize the environment of its diffuse radio emission and to shed new light on its nature. Methods. We used optical data from the Sloan Digital Sky Survey to study the internal dynamics of the cluster. We also analyzed archival XMM-Newton X-ray data to unveil the properties of its hot intracluster medium. Finally, we used recent data from the LOw Frequency ARray (LOFAR) at 144 MHz, together with VLA data at 1.4 GHz, to study the spectral behavior of the diffuse radio source. Results. Both our optical and X-ray analysis reveal that this low-mass cluster exhibits disturbed dynamics. In fact, it is composed of several galaxy groups in the peripheral regions and, in particular, in the core, where we find evidence of substructures oriented in the NE–SW direction, with hints of a merger nearly along the line of sight. The analysis of the X-ray emission adds further evidence that the cluster is in an unrelaxed dynamical state. At radio wavelengths, the LOFAR data show that the diffuse emission is ~510 kpc in size. Moreover, there are hints of low-surface-brightness emission permeating the cluster center. Conclusions. The environment of the diffuse radio emission is not what we would expect for a classical halo. The spectral index map of the radio source is compatible with a relic interpretation, possibly due to a merger in the N–S or NE–SW directions, in agreement with the substructures detected through the optical analysis. The fragmented, diffuse radio emissions at the cluster center could be attributed to the surface brightness peaks of a faint central radio halo.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Flat-band driven Kondo breakdown and reentrant effects in heavy-fermion moiré superlattices

Moiré superlattices (MSLs) in van der Waals heterostructures have demonstrated their incredible power in driving emergent electronic phenomena, some of which are reminiscent of those usually only observed in bulk strongly correlated quantum materials. With the recent discovery of van der Waals 𝑓-electron materials, the design of novel MSLs of intrinsic strong correlation is now within the reach. Here we study the novel electron phases of two-dimensional heavy-fermion MSL with increasingly diluted 𝑓-electron local moments. By applying dynamical mean-field theory with numerical renormalization group as an impurity solver, we demonstrate the appearance of a different energy scale and a reentrant Kondo breakdown in connection with the emergence of a flat band in the system. We further compare our numerical findings with predictions derived from the Lieb-Mattis theorem and show the necessity of this energy scale to consistently reconcile the predictions with the conventional single-impurity limit for exceedingly large unit cells.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Generalized logarithmic equation of state in classical and loop quantum cosmology dark energy–dark matter coupled systems

In this paper we shall study the phase space of a coupled dark energy–dark matter fluids system, in which the dark energy has a generalized logarithmic corrected equation of state. Particularly, the equation of state for the dark energy will contain a logarithmic function of the dark energy density ρ{sub d} and will also have quadratic and Chaplygin gas-like terms, expressed in terms of ρ{sub d}. We shall use the dynamical system approach in order to study the cosmological dynamics, and by appropriately choosing the dynamical system variables, we shall construct an autonomous dynamical system. The study will be performed in the context of classical and loop quantum cosmology, and the focus is on finding stable de Sitter attractors. As we demonstrate, in both the classical and loop quantum cosmology cases, there exist stable de Sitter attractors in the phase space, with the loop quantum cosmology case though having a wider range of the free parameter values for which the stable de Sitter attractors may occur. It is emphasized that the use of a generalized dark energy equation of state makes possible the existence of de Sitter attractors, which were absent in the case that a simple logarithmic term constitutes the dark energy equation of state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Ecological trade-offs drive phenotypic and genetic differentiation of Arabidopsis thaliana in Europe

Plant diversity is shaped by trade-offs between traits related to competitive ability, propagule dispersal, and stress resistance. However, we still lack a clear understanding of how these trade-offs influence species distribution and population dynamics. In Arabidopsis thaliana , recent genetic analyses revealed a group of cosmopolitan genotypes that successfully recolonized Europe from its center after the last glaciation, excluding older (relict) lineages from the distribution except for their north and south margins. Here, we tested the hypothesis that cosmopolitans expanded due to higher colonization ability, while relicts persisted at the margins due to higher tolerance to competition and/or stress. We compared the phenotypic and genetic differentiation between 71 European genotypes originating from the center, and the south and north margins. We showed that a trade-off between plant fecundity and seed mass shapes the differentiation of A. thaliana in Europe, suggesting that the success of the cosmopolitan groups could be explained by their high dispersal ability. However, at both north and south margins, we found evidence of selection for alleles conferring low dispersal but highly competitive and stress-resistance abilities. This study sheds light on the role of ecological trade-offs as evolutionary drivers of the distribution and dynamics of plant populations.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1980

The opportunities offered by SCADM for the study of surface phenomena related to interior structure and dynamics

The physical processes to be probed by experiments may be grouped as large scale flows, oscillations, and chromospheric/coronal diagnostics. While the fundamental concerns and observational equipments are similar within each class, different investigations may tell different things about the Sun. Observational requirements are listed for experiments to study (1) plasma-magnetic field interactions; (2) interior structure via oscillations; (3) chromospheric and coronal tracers; (4) rotation, meridional flows, and giant cells; (5) the depth dependence of rotation; (6) EUV luminosity; (7) intensity fluctuations and tracers; and (8) diameter oscillations, the effects of noise and timestring on experiment results are assessed.

Brown, T. M.↗
DOE OSTI2018

SISGR: Physical chemistry of reaction dynamics in ionic liquids

This document is the final technical report for the five-institution project titled, “SISGR: Physical chemistry of reaction dynamics in ionic liquids”. The project included the groups of Edward Castner, Jr. at Rutgers, Mark Maroncelli at Penn State, Claudio Margulis at Univ. of Iowa, David Blank at Univ. of Minnesota, and James Wishart at Brookhaven National Laboratory. The project spanned several funding periods between 2009 and 2017, with a no-cost extension at Rutgers continuing until 3/14/2018. The scientific research carried out included an array of experimental and theoretical investigations into the properties and chemical reactivity of room-temperature ionic liquids (ILs). Such ILs are of broad importance for energy science and technology applications, including their use in advanced batteries, supercapacitors and fuel cells; processing of biomass to liquid fuels; and for solubilizing and separating high-level radionuclides from nuclear waste products. Specific examples include the study of the transport and structural properties of the liquids, studies of photo-induced electron-transfer reactions, and characterization of solvated electrons in the ILs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Temperature response of soft ionizable polymer nanoparticles

The temperature response of luminescent ionizable polymers confined into far from equilibrium nanoparticles without chemical links was studied using molecular dynamics simulations. These nanoparticles, often referred to as polydots, are emerging as a promising tool for nanomedicine. Incorporating ionizable groups into these polymers enables biofunctionality; however, they also affect the delicate balance of interactions that hold these nanoparticles together. Here polydots formed by a model polymer dialkyl p-phenylene ethynylene with varying number of carboxylate groups along the polymer backbone were probed. We find that increasing temperature affects neutral and charged polydots differently, where neutral polydots exhibit a transition above which their structure becomes dynamic and they unravel. The dependence of the transition temperature on the surface to volume ratio of these polydots is much stronger than what has previously been observed in polymeric thin films. In conclusion, charged polydots become dynamic enabling migration of the ionizable groups toward the particle interface, while retaining the overall particle shape.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Machine-learning force-field models for dynamical simulations of metallic magnets

We review recent advances in machine-learning (ML) force-field methods for Landau–Lifshitz–Gilbert simulations of itinerant electron magnets, focusing on their scalability and transferability. Built on the principle of locality, a deep neural-network model is developed to efficiently and accurately predict electron-mediated forces governing spin dynamics. Symmetry-aware descriptors constructed through a group-theoretical approach ensure rigorous incorporation of both lattice and spin-rotation symmetries. The framework is demonstrated using the prototypical s-d exchange model widely employed in spintronics. ML-enabled large-scale simulations reveal novel nonequilibrium phenomena, including anomalous coarsening of tetrahedral spin order on the triangular lattice and the freezing of phase-separation dynamics in lightly hole-doped, strong-coupling square-lattice systems. These results establish ML force-field frameworks as scalable, accurate, and versatile tools for modeling nonequilibrium spin dynamics in itinerant magnets.

Artificial neural networks↗
NASA NTRS1987

Crustal dynamics project data analysis, 1987. Volume 2: Mobile VLBI geodetic results, 1982-1986

The Goddard VLBI group reports the results of analyzing 101 Mark III data sets acquired from mobile observing sites through the end of 1986 and available to the Crustal Dynamics Project. The fixed VLBI observations at Hat Creek, Ft. Davis, Mojave, and OVRO are included as they participate heavily in the mobile schedules. One large solution GLB171 was used to obtain baseline length and transverse evolutions. Radio source positions were estimated globally, while nutation offsets were estimated from each data set. The results include 28 mobile sites.

Ma, C.↗
NASA NTRS1987

Crustal dynamics project data analysis, 1987. Volume 1: Fixed station VLBI geodetic results, 1979-1986

The Goddard VLBI group reports the results of analyzing Mark III data sets from fixed observatories through the end of 1986 and available to the Crustal Dynamics Project. All full-day data from POLARIS/IRIS are included. The mobile VLBI sites at Platteville (Colorado), Penticton (British Columbia), and Yellowknife (Northwest Territories) are also included since these occupations bear on the study of plate stability. Two large solutions, GLB121 and GLB122, were used to obtain Earth rotation parameters and baseline evolutions, respectively. Radio source positions were estimated globally while nutation offsets were estimated from each data set. The results include 25 sites and 108 baselines.

Ryan, J. W.↗