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At least 1,801 records · Page 100
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Classification of dynamical Lie algebras generated by spin interactions on undirected graphs

Dynamical Lie algebras (DLAs) are a versatile tool for various topics that span from the expressibility-trainability of variational quantum algorithms (VQAs), to simulation of many body Hamiltonians. Quantum gates and most of the Hamiltonians of interest consist of local interactions; therefore, the analysis of all possible DLAs generated by 1- and 2-local operators is crucial for quantum simulation and VQAs on current hardware. Previously in [R. Wiersema et al ., npj Quantum Inf. 10 , 110 (2024)], we analyzed the DLAs on linear, circular and all-to-all topologies, and obtained results about their dimensions and algebraic structure. Here, in this work, we extend our analysis into any possible hardware topology and provide a classification of all DLAs generated by Pauli strings on any undirected interaction graph. Our results indicate that the DLAs depend solely on whether the connectivity or interaction graph is bipartite or not. In addition, we find that the non-trivial polynomially scaling DLAs appear only on 1D line or circle topologies, and all other DLAs have dimensions scaling exponentially with the system size. Together with the current VQA literature, our results imply that either the majority of VQAs are non-trainable, or we are yet to understand the role of DLAs on the trainability of VQAs.

Algebraic structures↗
DOE OSTI2026

Fermionic mean-field dynamics for spin systems beyond free fermions

We introduce the fermionized time-dependent Hartree–Fock (fTDHF), a real-time quantum dynamics method for spin-1/2 Hamiltonians following their mapping to fermions via the Jordan-Wigner transformation. fTDHF is formally equivalent to exact dynamics in the case of free fermions, and can efficiently handle non-local string operators arising from long-range interactions via transition matrix elements between non-orthogonal Slater determinants. We show that the fTDHF method can be implemented on a classical computer with a cost that scales polynomially with system size, and linearly with the time steps. We benchmark fTDHF against exact dynamics on three separate spin-1/2 models, representing adiabatic preparation of states with long-range correlations, disorder-driven observation of many-body localization, and particle production in the Schwinger model. For each of these systems, fTDHF is shown to reproduce the qualitative dynamics generated by the exact evolutions, while maintaining a simple physical picture due to its mean-field nature.

Dutta, Rishab↗
DOE OSTI2018

Chaotic vortex filaments in a Bose – Einstein condensate and in superfluid helium

A statement of the quantum turbulence problem in both a Bose – Einstein condensate (BEC) and superfluid helium is formulated. In superfluid helium use is made of a so-called vortex filament method, in which quantum vortices are represented by string-like objects, i.e. vortex lines. The dynamics of the vortex lines is determined by deterministic equations of motion, supplemented by random reconnections. Unlike He II, the laws of the dynamics of quantum vortices in BEC are based on the nonlinear Schrödinger equation. This makes it possible to obtain a microscopic description of the collision of vortices, the structure of a vortex filament, etc. A comparative analysis of these complementary approaches is carried out. It is shown that there are some features that do not automatically transfer the results obtained for BEC to vortices in He II and vice versa. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

An electron-bifurcating “plug” to a protein nanowire in tungsten-dependent aldehyde detoxification

Members of the tungsten-containing oxidoreductase (WOR) family, which contain a tungstopyranopterin (Tuco) cofactor, are typically either monomeric (WorL) or heterodimeric (WorLS). These enzymes oxidize aldehydes to the corresponding acids while reducing the redox protein ferredoxin. They have been structurally characterized mainly using WORs from hyperthermophilic archaea. The WORs of some bacteria contain three additional subunits of the BfuABC family and these chimeric WorABCSL enzymes catalyze an electron-bifurcating reaction in which aldehyde oxidation is coupled to the simultaneous reduction of ferredoxin and nicotinamide adenine dinucleotide. In human gut microbes, electron bifurcation by WorABSL is proposed to enable the detoxification of aldehydes generated from cooked foods and in the tungstocentric production of beneficial short chain fatty acids from lactate, potentially impacting health. Herein we present the high-resolution cryogenic electron microscopy (cryo-EM) structure of the WorABCSL purified from the bacteriumAcetomicrobium mobile.The structure reveals a surprising 1:3 stoichiometry between WorABC and WorSL, with the WorSL units forming a nanowire-like architecture leading from three Tuco-containing catalytic sites in WorL via strings of multiple iron-sulfur clusters in WorS to a single bifurcating WorABC core. Our structure uncovers a distinct domain arrangement that links three Tuco-dependent aldehyde oxidation sites with the bifurcation process and potentially facilitates environmental aldehyde oxidation.

Science & Technology - Other Topics↗
DOE OSTI2022

The cosine-sine decomposition with different-orbitals-for-different-spins determinants

We report the spin decomposition of a spin-contaminated different-orbitals-for-different-spins (DODS) wave function is formulated in terms of the Krylov space of the $\hat{S}^2$ ||operator. The number of determinants that contribute to the various projected spin eigenfunctions vertical | $\psi ; S, M \rangle$ depends on the sparsity of the orbital overlap matrix X between the α and β spatial orbitals. The cosine-sine decomposition (CSD) procedure may be applied to this overlap matrix, and the resulting redundant orbital transformations may be applied to the α and β spatial orbitals. This produces a sparse X' matrix in the transformed basis in which each row or column has either one or two nonzero elements. This sparse X' matrix simplifies the spin-decomposition procedure in three ways:1) it reduces the number of contributing determinants within the Krylov basis functions and within the projected spin functions, 2) it reduces the effective orbital dimension through elimination of the frozen core and frozen virtual orbitals, and 3) it simplifies the spin-decomposition procedure in both the original and transformed bases by limiting the Krylov space dimension. These simplifications all reduce the computational effort for the spin-decomposition process. This procedure is implemented within a string-based DODS determinant formulation and applied to spin projection of unrestricted Hartree-Fock determinants.

unrestricted Hartree-Fock↗
DOE OSTI2012

Intermediate state trapping of a voltage sensor

Voltage sensor domains (VSDs) regulate ion channels and enzymes by undergoing conformational changes depending on membrane electrical signals. The molecular mechanisms underlying the VSD transitions are not fully understood. Here, we show that some mutations of I241 in the S1 segment of the Shaker Kv channel positively shift the voltage dependence of the VSD movement and alter the functional coupling between VSD and pore domains. Among the I241 mutants, I241W immobilized the VSD movement during activation and deactivation, approximately halfway between the resting and active states, and drastically shifted the voltage activation of the ionic conductance. This phenotype, which is consistent with a stabilization of an intermediate VSD conformation by the I241W mutation, was diminished by the charge-conserving R2K mutation but not by the charge-neutralizing R2Q mutation. Interestingly, most of these effects were reproduced by the F244W mutation located one helical turn above I241. Electrophysiology recordings using nonnatural indole derivatives ruled out the involvement of cation-Π interactions for the effects of the Trp inserted at positions I241 and F244 on the channel’s conductance, but showed that the indole nitrogen was important for the I241W phenotype. Insight into the molecular mechanisms responsible for the stabilization of the intermediate state were investigated by creating in silico the mutations I241W, I241W/R2K, and F244W in intermediate conformations obtained from a computational VSD transition pathway determined using the string method. The experimental results and computational analysis suggest that the phenotype of I241W may originate in the formation of a hydrogen bond between the indole nitrogen atom and the backbone carbonyl of R2. This work provides new information on intermediate states in voltage-gated ion channels with an approach that produces minimum chemical perturbation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

PDS 144: THE FIRST CONFIRMED Herbig Ae-Herbig Ae WIDE BINARY

PDS 144 is a pair of Herbig Ae stars that are separated by 5.''35 on the sky. It has previously been shown to have an A2Ve Herbig Ae star viewed at 83 Degree-Sign inclination as its northern member and an A5Ve Herbig Ae star as its southern member. Direct imagery revealed a disk occulting PDS 144 N-the first edge-on disk observed around a Herbig Ae star. The lack of an obvious disk in direct imagery suggested PDS 144 S might be viewed face-on or not physically associated with PDS 144 N. Multi-epoch Hubble Space Telescope imagery of PDS 144 with a 5 year baseline demonstrates PDS 144 N and S are comoving and have a common proper motion with TYC 6782-878-1. TYC 6782-878-1 has previously been identified as a member of Upper Sco sub-association A at d = 145 {+-} 2 pc with an age of 5-10 Myr. Ground-based imagery reveals jets and a string of Herbig-Haro knots extending 13' (possibly further) which are aligned to within 7 Degree-Sign {+-} 6 Degree-Sign on the sky. By combining proper motion data and the absence of a dark mid-plane with radial velocity data, we measure the inclination of PDS 144 S to be i = 73 Degree-Sign {+-} 7 Degree-Sign . The radial velocity of the jets from PDS 144 N and S indicates they, and therefore their disks, are misaligned by 25 Degree-Sign {+-} 9 Degree-Sign . This degree of misalignment is similar to that seen in T Tauri wide binaries.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

PHYSICS OF THE GALACTIC CENTER CLOUD G2, ON ITS WAY TOWARD THE SUPERMASSIVE BLACK HOLE

We investigate the origin, structure, and evolution of the small gas cloud G2, which is on an orbit almost straight into the Galactic central supermassive black hole (SMBH). G2 is a sensitive probe of the hot accretion zone of Sgr A*, requiring gas temperatures and densities that agree well with models of captured shock-heated stellar winds. Its mass is equal to the critical mass below which cold clumps would be destroyed quickly by evaporation. Its mass is also constrained by the fact that at apocenter its sound crossing timescale was equal to its infall timescale. Our numerical simulations show that the observed structure and evolution of G2 can be well reproduced if it forms in pressure equilibrium with its surroundings in 1995 at a distance from the SMBH of 7.6 Multiplication-Sign 10{sup 16} cm. If the cloud had formed at apocenter in the 'clockwise' stellar disk as expected from its orbit, it would be torn into a very elongated spaghetti-like filament by 2011, which is not observed. This problem can be solved if G2 is the head of a larger, shell-like structure that formed at apocenter. Our numerical simulations show that this scenario explains not only G2's observed kinematical and geometrical properties but also the Br{gamma} observations of a low surface brightness gas tail that trails the cloud. In 2013, while passing the SMBH, G2 will break up into a string of droplets that within the next 30 years will mix with the surrounding hot gas and trigger cycles of active galactic nucleus activity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ICECUBE NONDETECTION OF GAMMA-RAY BURSTS: CONSTRAINTS ON THE FIREBALL PROPERTIES

The increasingly deep limit on the neutrino emission from gamma-ray bursts (GRBs) with IceCube observations has reached a level that could place useful constraints on the fireball properties. We first present a revised analytic calculation of the neutrino flux that predicts a flux of one order of magnitude lower than that obtained by the IceCube Collaboration. For the benchmark model parameters (e.g., the bulk Lorentz factor is {Gamma} = 10{sup 2.5}, the observed variability time for the long GRBs is t{sup ob}{sub v} = 0.01 s, and the ratio between the energy in the accelerated protons and in the radiation is {eta}{sub p} = 10 for every burst) in the standard internal shock scenario, the predicted neutrino flux from 215 bursts during the period of the 40- and 59-string configurations is a factor of {approx}3 below the IceCube sensitivity. However, if we accept the recently found inherent relation between the bulk Lorentz factor and the burst energy, then the expected neutrino flux significantly increases and the spectral peak shifts to a lower energy. In this case, the nondetection implies that the baryon-loading ratio should be {eta}{sub p} {approx}< 10 if the variability time of the long GRBs is fixed to t{sup ob}{sub v} = 0.01 s. Instead, if we relax the standard internal-shock scenario but still assume {eta}{sub p} = 10, then the nondetection constrains the dissipation radius, R {approx}> 4 Multiplication-Sign 10{sup 12} cm, assuming the same dissipation radius for every burst and benchmark parameters for the fireballs. We also calculate the diffuse neutrino flux from the GRBs for different luminosity functions from the literature. The expected flux exceeds the current IceCube limit for some of the luminosity functions, and, thus, the nondetection constrains {eta}{sub p} {approx}< 10 when the variability time of the long GRBs is fixed at t{sup ob}{sub v} = 0.01 s.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

PROPERTIES OF A SOLAR FLARE KERNEL OBSERVED BY HINODE AND SDO

Flare kernels are compact features located in the solar chromosphere that are the sites of rapid heating and plasma upflow during the rise phase of flares. An example is presented from a M1.1 class flare in active region AR 11158 observed on 2011 February 16 07:44 UT for which the location of the upflow region seen by EUV Imaging Spectrometer (EIS) can be precisely aligned to high spatial resolution images obtained by the Atmospheric Imaging Assembly (AIA) and Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamics Observatory (SDO). A string of bright flare kernels is found to be aligned with a ridge of strong magnetic field, and one kernel site is highlighted for which an upflow speed of Almost-Equal-To 400 km s{sup -1} is measured in lines formed at 10-30 MK. The line-of-sight magnetic field strength at this location is Almost-Equal-To 1000 G. Emission over a continuous range of temperatures down to the chromosphere is found, and the kernels have a similar morphology at all temperatures and are spatially coincident with sizes at the resolution limit of the AIA instrument ({approx}<400 km). For temperatures of 0.3-3.0 MK the EIS emission lines show multiple velocity components, with the dominant component becoming more blueshifted with temperature from a redshift of 35 km s{sup -1} at 0.3 MK to a blueshift of 60 km s{sup -1} at 3.0 MK. Emission lines from 1.5-3.0 MK show a weak redshifted component at around 60-70 km s{sup -1} implying multi-directional flows at the kernel site. Significant non-thermal broadening corresponding to velocities of Almost-Equal-To 120 km s{sup -1} is found at 10-30 MK, and the electron density in the kernel, measured at 2 MK, is 3.4 Multiplication-Sign 10{sup 10} cm{sup -3}. Finally, the Fe XXIV {lambda}192.03/{lambda}255.11 ratio suggests that the EIS calibration has changed since launch, with the long wavelength channel less sensitive than the short wavelength channel by around a factor two.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Searches for extended and point-like neutrino sources with four years of IceCube data

We present results on searches for point-like sources of neutrinos using four years of IceCube data, including the first year of data from the completed 86 string detector. The total livetime of the combined data set is 1373 days. For an E {sup –2} spectrum, the observed 90% C.L. flux upper limits are ∼10{sup –12} TeV{sup –1} cm{sup –2} s{sup –1} for energies between 1 TeV and 1 PeV in the northern sky and ∼10{sup –11} TeV{sup –1} cm{sup –2} s{sup –1} for energies between 100 TeV and 100 PeV in the southern sky. This represents a 40% improvement compared to previous publications, resulting from both the additional year of data and the introduction of improved reconstructions. In addition, we present the first results from an all-sky search for extended sources of neutrinos. We update the results of searches for neutrino emission from stacked catalogs of sources and test five new catalogs; two of Galactic supernova remnants and three of active galactic nuclei. In all cases, the data are compatible with the background-only hypothesis, and upper limits on the flux of muon neutrinos are reported for the sources considered.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Weak and compact radio emission in early massive star formation regions: an ionized jet toward G11.11–0.12P1

We report 1.3 cm and 6 cm continuum observations toward the massive proto-stellar candidate G11.11–0.12P1 using the Karl G. Jansky Very Large Array. We detect a string of four unresolved radio continuum sources coincident with the mid-infrared source in G11P1. The continuum sources have positive spectral indices consistent with a thermal (free-free) ionized jet. The most likely origins of the ionized gas are shocks due to the interaction of a stellar wind with the surrounding high-density material. We also present NIR United Kingdom Infrared Telescope (UKIRT) archival data that show an extended structure detected only at K band (2.2 μm), which is oriented perpendicular to the jet, and that may be scattered light from a circumstellar disk around the massive protostar. Our observations plus the UKIRT archival data thus provide new evidence that a disk/jet system is present in the massive proto-stellar candidate located in the G11.11–0.12P1 core.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

THE COMPLEX NORTH TRANSITION REGION OF CENTAURUS A: A GALACTIC WIND

We present deep GALEX images of NGC 5128, the parent galaxy of Centaurus A. We detect a striking “weather ribbon” of far-UV (FUV) and Hα emission which extends more than 35 kpc northeast of the galaxy. This ribbon is associated with a knotty ridge of radio/X-ray emission and is an extension of the previously known string of optical emission-line filaments. Many phenomena in the region are too short-lived to have survived transit out from the inner galaxy; something must be driving them locally. We also detect FUV emission from the galaxy’s central dust lane. Combining this with previous radio and far-IR measurements, we infer an active starburst in the central galaxy which is currently forming stars at ∼2 M{sub ☉} yr{sup −1}, and has been doing so for 50–100 Myr. If the wind from this starburst is enhanced by energy and mass driven out from the active galactic nucleus, the powerful augmented wind can be the driver needed for the northern weather system. We argue that both the diverse weather system, and the enhanced radio emission in the same region, result from the wind’s encounter with cool gas left by one of the recent merger/encounter events in the history of NGC 5128.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

SEARCHES FOR TIME-DEPENDENT NEUTRINO SOURCES WITH ICECUBE DATA FROM 2008 TO 2012

In this paper searches for flaring astrophysical neutrino sources and sources with periodic emission with the IceCube neutrino telescope are presented. In contrast to time-integrated searches, where steady emission is assumed, the analyses presented here look for a time-dependent signal of neutrinos using the information from the neutrino arrival times to enhance the discovery potential. A search was performed for correlations between neutrino arrival times and directions, as well as neutrino emission following time-dependent light curves, sporadic emission, or periodicities of candidate sources. These include active galactic nuclei, soft γ-ray repeaters, supernova remnants hosting pulsars, microquasars, and X-ray binaries. The work presented here updates and extends previously published results to a longer period that covers 4 years of data from 2008 April 5 to 2012 May 16, including the first year of operation of the completed 86 string detector. The analyses did not find any significant time-dependent point sources of neutrinos, and the results were used to set upper limits on the neutrino flux from source candidates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

AN EXTREME STARBURST IN THE CORE OF A RICH GALAXY CLUSTER AT z = 1.7

We have discovered an optically rich galaxy cluster at z = 1.7089 with star formation occurring in close proximity to the central galaxy. The system, SpARCS104922.6+564032.5, was detected within the Spitzer Adaptation of the red-sequence Cluster Survey, and confirmed through Keck-MOSFIRE spectroscopy. The rest-frame optical richness of N{sub gal} (500 kpc) = 30 ± 8 implies a total halo mass, within 500 kpc, of ∼3.8 ± 1.2 × 10{sup 14} M{sub ⊙}, comparable to other clusters at or above this redshift. There is a wealth of ancillary data available, including Canada–France–Hawaii Telescope optical, UKIRT-K, Spitzer-IRAC/MIPS, and Herschel-SPIRE. This work adds submillimeter imaging with the SCUBA2 camera on the James Clerk Maxwell Telescope and near-infrared imaging with the Hubble Space Telescope. The mid/far-infrared (M/FIR) data detect an Ultra-luminous Infrared Galaxy spatially coincident with the central galaxy, with L{sub IR} = 6.2 ± 0.9 × 10{sup 12} L{sub ⊙}. The detection of polycyclic aromatic hydrocarbons at z = 1.7 in a Spitzer-IRS spectrum of the source implies the FIR luminosity is dominated by star formation (an Active Galactic Nucleus contribution of 20%) with a rate of ∼860 ± 130 M{sub ⊙} yr{sup −1}. The optical source corresponding to the IR emission is likely a chain of >10 individual clumps arranged as “beads on a string” over a linear scale of 66 kpc. Its morphology and proximity to the Brightest Cluster Galaxy (BCG) imply a gas-rich interaction at the center of the cluster triggered the star formation. This system indicates that wet mergers may be an important process in forming the stellar mass of BCGs at early times.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

MULTI-MESSENGER ASTRONOMY OF GRAVITATIONAL-WAVE SOURCES WITH FLEXIBLE WIDE-AREA RADIO TRANSIENT SURVEYS

We explore opportunities for multi-messenger astronomy using gravitational waves (GWs) and prompt, transient low-frequency radio emission to study highly energetic astrophysical events. We review the literature on possible sources of correlated emission of GWs and radio transients, highlighting proposed mechanisms that lead to a short-duration, high-flux radio pulse originating from the merger of two neutron stars or from a superconducting cosmic string cusp. We discuss the detection prospects for each of these mechanisms by low-frequency dipole array instruments such as LWA1, the Low Frequency Array and the Murchison Widefield Array. We find that a broad range of models may be tested by searching for radio pulses that, when de-dispersed, are temporally and spatially coincident with a LIGO/Virgo GW trigger within a ∼30 s time window and ∼200–500 deg{sup 2} sky region. We consider various possible observing strategies and discuss their advantages and disadvantages. Uniquely, for low-frequency radio arrays, dispersion can delay the radio pulse until after low-latency GW data analysis has identified and reported an event candidate, enabling a prompt radio signal to be captured by a deliberately targeted beam. If neutron star mergers do have detectable prompt radio emissions, a coincident search with the GW detector network and low-frequency radio arrays could increase the LIGO/Virgo effective search volume by up to a factor of ∼2. For some models, we also map the parameter space that may be constrained by non-detections.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Topological insulators, topological superconductors and Weyl fermion semimetals: discoveries, perspectives and outlooks

Here, unlike string theory, topological physics in lower dimensional condensed matter systems is an experimental reality since the bulk-boundary correspondence can be probed experimentally in lower dimensions. In addition, recent experimental discoveries of non-quantum-Hall-like topological insulators, topological superconductors, Weyl semimetals and other topological states of matter also signal a clear departure from the quantum-Hall-effect-like transport paradigm that has dominated the field since the 1980s. It is these new forms of matter that enabled realizations of topological-Dirac, Weyl cones, helical-Cooper-pairs, Fermi-arc-quasiparticles and other emergent phenomena in fine-tuned photoemission (ARPES) experiments since ARPES experiments directly allow the study of bulk-boundary (topological) correspondence. In this proceeding we provide a brief overview of the key experiments and discuss our perspectives regarding the new research frontiers enabled by these experiments. Taken collectively, we argue in favor of the emergence of 'topological-condensed-matter-physics' in laboratory experiments for which a variety of theoretical concepts over the last 80 years paved the way.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

The AdS/CFT correspondence

We give a brief review of the AdS/CFT correspondence, which posits the equivalence between a certain gravitational theory and a lower-dimensional non-gravitational one. This remarkable duality, formulated in 1997, has sparked a vigorous research program which has gained in breadth over the years, with applications to many aspects of theoretical (and even experimental) physics, not least to general relativity and quantum gravity. To put the AdS/CFT correspondence in historical context, we start by reviewing the relevant aspects of string theory (of which no prior knowledge is assumed). We then develop the statement of the correspondence, and explain how the two sides of the duality map into each other. Finally, we discuss the implications and applications of the correspondence, and indicate some of the current trends in this subject. The presentation attempts to convey the main concepts in a simple and self-contained manner, relegating supplementary remarks to footnotes.

79 ASTRONOMY AND ASTROPHYSICS↗

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