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At least 73 records · Page 4

Transport in Carbon Nanotubes with Defects

The linear response conductance of a defect free carbon nanotube connected to ideal contacts is approximately 4e(sup 2)/h. In this paper, we first calculate the conductance characteristics of a uniform tube in the presence of an applied bias by assuring different forms of the potential drop across the wire. It is shown that for long tubes, the conduction mechanism involve a only the four non degenerate subands when the electric field drops slowly across the the tube. We then proceed to calculate the transmission and low bias conductance of tubes with defects. Here, we show that a weak uniform disorder in the tube does not cause a dramatic change in the conductance. However the presence of certain substitutional defects, the transmission coefficient versus energy develops a gap and this can cause a dramatic change in the low bias conductance. The effect of coherence is neglected.

Anatram, M. P.↗

Martensitic transformation in superlattices of two non-transforming metals

A number of studies have shown that the coherent integration of a second non-transforming phase in martensitic materials results in unprecedented thermo-mechanical properties. We demonstrate the possibility of martensitic transformation by epitaxially combining two non-transforming materials, Mg (hexagonal closed packed) and MgLi (body centered cubic). Density functional theory calculations predict that MgLi/Mg superlattices undergo a transformation crystallographically equivalent to MgSc alloys and can be expected to result in finite temperature shape memory behavior. We predict the zero-temperature energy of the martensite phase to be 9.3 meV/atom lower than austenite for a 50–50 at. % MgLi/Mg nanolaminate, which is expected to result in a martensitic transformation temperature of approximately 150 K. This energy difference can be tuned between 4.9 and 18.1 meV/atom by varying the fraction of the pure Mg phase in the superlattice, potentially enabling the transformation from cryogenic to room and higher temperatures. While Li diffusion might limit the applications of the systems proposed, this work opens the door to a new approach to create martensitic materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dynamical phase transitions in models of collective neutrino oscillations

Collective neutrino oscillations can potentially play an important role in transporting lepton flavor in astrophysical scenarios where the neutrino density is large, typical examples are the early universe and supernova explosions. It has been argued in the past that simple models of the neutrino Hamiltonian designed to describe forward scattering can support substantial flavor evolution on very short timescales t ≈ log(N) / (G Fρν ), with N the number of neutrinos, G F the Fermi constant and ρ ν the neutrino density. This finding is in tension with results for similar but exactly solvable models for which t ≈ √N/(G Fρν ) instead. In this work we provide a coherent explanation of this tension in terms of dynamical phase transitions (DPT) and study the possible impact that a DPT could have in more realistic models of neutrino oscillations and their mean-field approximation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

High-Resolution Near-Surface Imaging at the Basin Scale Using Dark Fiber and Distributed Acoustic Sensing: Toward Site Effect Estimation in Urban Environments

Near-surface seismic structure, particularly the shear wave velocity (V s ), can strongly affect local site response, and should be accurately estimated for ground motion prediction during seismic hazard assessment. The Imperial Valley (California), occupying the southern end of the Salton Trough, is a seismically active basin with thick surficial lacustrine sedimentary deposits. In this study, we utilize ambient noise records and local earthquake events for high-resolution near-surface characterization and site effect estimation with an unlit fiber-optic telecommunication infrastructure (dark fiber) in Imperial Valley by using the distributed acoustic sensing (DAS) technique. We apply ambient noise interferometry to retrieve coherent surface waves from DAS records, and evaluate performances of three different surface wave methods on DAS ambient noise dispersion imaging. We develop a quality control workflow to improve the dispersion measurement of noisy portions of the DAS data set by using a data selection strategy. Using the joint inversion of both the fundamental mode and higher overtones of Rayleigh waves, a high resolution two-dimensional (2D) V s structure down to 70 m depth is obtained. We successfully achieve an improved V s 30 (the time-averaged shear-wave velocity in the top 30 m) model with higher spatial-resolution and reliability compared to the existing community model for the area. We also explore the potential for utilizing DAS earthquake events for site amplification estimation. The preliminary results reveal a clear anti-correlation between the approximated site response and the V s 30 profile. In conclusion, our results indicate the potential utility of DAS deployed on dark fiber for near-surface characterization in appropriate contexts.

58 GEOSCIENCES↗

Two-component exciton condensates in an electron–hole bilayer

Macroscopic quantum coherence emerges when bosons condense into a Bose–Einstein condensate (BEC). Excitons are a long-sought solid-state route to high-temperature BECs with strong interactions, electrical tunability and potentially multicomponent spinor order, but conclusive evidence for equilibrium condensation has remained elusive. Here we report evidence for two-component exciton BECs in MoSe 2 /hBN/WSe 2 electron–hole bilayers by probing the spin–valley susceptibility of constituent electrons and holes. This heterostructure hosts equilibrium exciton fluids with four spin–valley flavours. Magneto-optical spectroscopy in a dilution refrigerator reveals three exciton condensate phases with distinct flavour polarizations. At zero magnetic field, the many-body ground state is a coherent superposition of two condensed intravalley exciton flavours. Under a magnetic field, the intravalley exciton condensate first switches to a two-component intervalley condensate through a first-order quantum phase transition at a weak critical field and then turns into a fully polarized single-component condensate at high fields. The condensate signatures form a dome in density–temperature space, persisting up to approximately 1.8 K. Our results establish van der Waals electron–hole bilayers as a versatile platform for strongly interacting, multicomponent exciton BECs.

Qi, Ruishi [University of California, Berkeley, CA↗

Evidence for the utility of quantum computing before fault tolerance

Quantum computing promises to offer substantial speed-ups over its classical counterpart for certain problems. However, the greatest impediment to realizing its full potential is noise that is inherent to these systems. The widely accepted solution to this challenge is the implementation of fault-tolerant quantum circuits, which is out of reach for current processors. Here we report experiments on a noisy 127-qubit processor and demonstrate the measurement of accurate expectation values for circuit volumes at a scale beyond brute-force classical computation. We argue that this represents evidence for the utility of quantum computing in a pre-fault-tolerant era. These experimental results are enabled by advances in the coherence and calibration of a superconducting processor at this scale and the ability to characterize and controllably manipulate noise across such a large device. We establish the accuracy of the measured expectation values by comparing them with the output of exactly verifiable circuits. In the regime of strong entanglement, the quantum computer provides correct results for which leading classical approximations such as pure-state-based 1D (matrix product states, MPS) and 2D (isometric tensor network states, isoTNS) tensor network methods break down. These experiments demonstrate a foundational tool for the realization of near-term quantum applications.

97 MATHEMATICS AND COMPUTING↗

Conformer-Specific Dissociation Dynamics in Dimethyl Methylphosphonate Radical Cation

The dynamics of the dimethyl methylphosphonate (DMMP) radical cation after production by strong field adiabatic ionization have been investigated. Pump-probe experiments using strong field 1300 nm pulses to adiabatically ionize DMMP and a 800 nm non-ionizing probe induce coherent oscillations of the parent ion yield with a period of about 45 fs. The yields of two fragments, PO 2 C 2 H 7 + and PO 2 CH 4 + , oscillate approximately out of phase with the parent ion, but with a slight phase shift relative to each other. We use electronic structure theory and nonadiabatic surface hopping dynamics to understand the underlying dynamics. The results show that while the cation oscillates on the ground state along the P=O bond stretch coordinate, the probe excites population to higher electronic states that can lead to fragments PO 2 C 2 H 7 + and PO 2 CH 4 + . The computational results combined with the experimental observations indicate that the two conformers of DMMP that are populated under experimental conditions exhibit different dynamics after being excited to the higher electronic states of the cation leading to different dissociation products. These results highlight the potential usefulness of these pump-probe measurements as a tool to study conformer-specific dynamics in molecules of biological interest.

59 BASIC BIOLOGICAL SCIENCES↗

Use of diamond sensors for a high-flux, high-rate X-ray pass-through diagnostic

X-ray free-electron lasers (XFELs) deliver pulses of coherent X-rays on the femtosecond time scale, with potentially high repetition rates. While XFELs provide high peak intensities, both the intensity and the centroid of the beam fluctuate strongly on a pulse-to-pulse basis, motivating high-rate beam diagnostics that operate over a large dynamic range. The fast drift velocity, low X-ray absorption and high radiation tolerance properties of chemical vapour deposition diamonds make these crystals a promising candidate material for developing a fast (multi-GHz) pass-through diagnostic for the next generation of XFELs. A new approach to the design of a diamond sensor signal path is presented, along with associated characterization studies performed in the XPP endstation of the LINAC Coherent Light Source (LCLS) at SLAC. Qualitative charge collection profiles (collected charge versus time) are presented and compared with those from a commercially available detector. Quantitative results on the charge collection efficiency and signal collection times are presented over a range of approximately four orders of magnitude in the generated electron–hole plasma density.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Atomic-scale imaging and charge state manipulation of NV centers by scanning tunneling microscopy

Nitrogen-vacancy (NV) centers in diamond are among the most promising solid-state qubit candidates, owing to their exceptionally long spin coherence times, efficient spin-photon coupling, room-temperature operation, and steadily advancing fabrication and integration techniques. Despite significant progress in the field, atomic-scale characterization and control of individual NV centers have remained elusive. In this work, we utilize a conductive graphene capping layer to enable direct imaging and manipulation of NV - defects via scanning tunneling microscopy (STM). By investigating over 40 individual NV - centers, we identify their spectroscopic signatures and spatial configurations. Our dI/dV conductance spectra reveal the ground state resonance approximately 300 meV below the Fermi level and density-of-states maps uncover a two-lobed wavefunction aligned along the [111] crystallographic direction. Remarkably, we demonstrate the ability to manipulate the charge state of the NV centers from NV - to NV 0 through STM tip-induced gating. This work represents a significant advance in the atomic-scale imaging, spectroscopic characterization, and charge-state manipulation of NV centers, potentially paving the way for future quantum device development.

Raghavan, Arjun [Univ. of Illinois at Urbana-Champ↗

X‑ray Coherent Diffractive Imaging of Large Helium Nanodroplets Doped with Small Molecules

We report the first X-ray coherent diffractive imaging experiment on molecule-doped helium nanodroplets. It complements previous work, where we reported single-shot X-ray coherent diffractive imaging studies of Xe dopant clusters formed in 4He and 3He droplets. These noble gas clusters were used to visualize the impact of rotational excitation of the droplets on the spatial distribution of atomic dopants within the droplets, and to study the differences and connections between quantum and classical droplet rotational motion. Here, we expand our studies to the molecular dopants CF4, CHF3, CH3CN, and SF6, imaged with 1.5 keV photons. We find multiple Bragg spots in the diffraction patterns of molecule-doped droplets with radii of approximately 600 nm, which provide evidence that molecules form elongated clusters with preferential alignment along the angular momentum axis of the 4He droplets, in agreement with our previous results on the aggregation of Xe clusters on quantum vortices. Real-space reconstructions of molecular dopant cluster density profiles are obtained for droplets with smaller radii of approximately 300 nm. The diffuse images suggest the formation of low-density, potentially porous, molecular clusters upon aggregation at T = 0.4 K in 4He droplets. In the normal fluid 3He droplets, molecules aggregate into loose clusters on the droplets' equator, similar to previous observations for Xe atoms. Time-of-flight mass spectra reveal that the doped helium nanodroplet moieties fragment extensively into constituent atomic ions, producing only a small fraction of molecular fragment ions. The findings are discussed in the context of previously proposed schemes to use He droplets as potential tamper materials for ultrafast X-ray imaging experiments.

Feinberg, AlexandraJ↗

Chasing Shadows: Rotation of the Azimuthal Asymmetry in the TW Hya Disk

We have obtained new images of the protoplanetary disk orbiting TW Hya in visible, total intensity light with the Space Telescope Imaging Spectrograph (STIS) on the Hubble Space Telescope (HST), using the newly commissioned BAR5 occulter. These HSTSTIS observations achieved an inner working angle of approximately 0 "2, or11.7 au, probing the system at angular radii coincident with recent images of the disk obtained by ALMA and in polarized intensity near-infrared light. By comparing our new STIS images to those taken with STIS in 2000 and with NICMOS in 1998, 2004, and 2005, we demonstrate that TW Hyas azimuthal surface brightness asymmetry moves coherently in position angle. Between 50 au and 141 au we measure a constant angular velocity in the azimuthal brightness asymmetry of 22.deg7 yr(exp -1) in a counterclockwise direction, equivalent to a period of 15.9yrassuming circular motion. Both the (short) inferred period and lack of radial dependence of the moving shadow pattern are inconsistent with Keplerian rotation at these disk radii. We hypothesize that the asymmetry arises from the fact that the disk interior to 1 au is inclined and precessing owing to a planetary companion, thus partially shadowing the outer disk. Further monitoring of this and other shadows on protoplanetary disks potentially opens anew avenue for indirectly observing the sites of planet formation.

protoplanetary disk orbiting TW Hya↗

Characteristics of Vertical Ground Motions and Their Effect on the Seismic Response of Bridges in the Near-Field: A State-of-the-Art Review

Despite the evidence from past earthquakes and several numerical investigations demonstrating the detrimental impact of vertical ground motions (VGMs) on the integrity of bridge structures, incorporating their effects into seismic assessment and design procedures has traditionally been given limited consideration. Current codes utilize rather simplistic approaches to account for the concurrent effects of vertical and horizontal motions in structural performance evaluations, potentially leading to unconservative estimates of structural demands. This paper reviews the main features of VGMs and their effect on the seismic response of bridges. The methods and empirical models available to estimate vertical motions for design purposes are discussed, and research gaps and related research needs are identified. Finally, the emerging role of physics-based ground-motion simulations, as well as their limitations, in supporting future research and informing the development of simplified design procedures is examined. The main areas of interest for future research are identified in the need to carry out systematic sensitivity studies to gain insight into the main earthquake parameters that influence key VGMs features, understand the influence of soil nonlinearities on VGMs amplitude and frequency content, inform the development of empirical models that cover a range of site conditions and source-to-site distances where current models are poorly constrained, generate arrays of motions to update coherency models to properly inform the analysis of distributed infrastructure, investigate the impulsive character of VGMs, and assess the approximations made in estimating VGMs with 1D site response analyses. Furthermore, specific focus is laid on large-magnitude earthquakes in the near-field.

Asynchronous ground motion↗

Millimeter Wave Synthetic Aperture Imaging System with a Unique Rotary Scanning System

In recent years, millimeter wave imaging techniques, using synthetic aperture focusing and holographical approaches, have shown tremendous potential for nondestructive testing applications, involving materials and structures used in space vehicles, including the space shuttle external fuel tank spray on foam insulation and its acreage heat tiles. The ability of signals at millimeter wave frequencies (30 - 300 GHz) to easily penetrate inside of low loss dielectric materials, their relatively small wavelengths, and the possibility of detecting coherent (magnitude and phase) reflections make them suitable for high resolution synthetic aperture focused imaging the interior of such materials and structures. To accommodate imaging requirements, commonly a scanning system is employed that provides for a raster scan of the desired structure. However, most such scanners, although simple in design and construction, are inherently slow primarily due to the need to stop and start at the beginning and end of each scan line. To this end, a millimeter wave synthetic aperture focusing system including a custom-designed transceiver operating at 35 - 45 GHz (Q-band) and unique and complex rotary scanner was designed and developed. The rotary scanner is capable of scanning an area with approximately 80 cm in diameter in less than 10 minutes at step sizes of 3 mm and smaller. The transceiver is capable of producing accurate magnitude and phase of reflected signal from the structure under test. Finally, a synthetic aperture focusing algorithm was developed that translates this rotary-obtained magnitude and phase into a synthetic aperture focusing image of inspected structures. This paper presents the design of the transceiver and the rotary scanning system along with showing several images obtained with this system from various complicated structures.

Ghasr, M. T.↗

Diurnal Cycle of Convection in the East Pacific ITCZ during EPIC-2001

During the last three weeks of September 2001, the EPIC-2001 intensive field campaign focused on studies of deep convection in the ITCZ over the Mexican warm pool region (10N, 95W) of the East Pacific. This study focuses on the pronounced observed diurnal cycle of environmental and convective parameters within the experiment domain. Data from three primary sources are examined: the R/V Ronald H. Brown C-band weather radar, 4-hourly soundings from the Brown and the Global Atmospherics, Inc. National Lightning Detection Network (long range product). Satellite data from TRMM, GOES and OV-1 are also used. The domain boundary layer shows a robust daily evolution of moist enthalpy (as reflect by equivalent potential temperature, theta-e, or wet bulb potential temperature, theta-w), with contributions from changes in both dry and moist entropy. Peak theta-w is found after local nightfall; the average diurnal range of theta-w is approximately 1 deg C. A composite diurnal cycle of convective properties was derived from the C-band volume scans, sampled continuously through the experiment at 10 minute updates. Products derived from the volumetric data include a surface PPI, 15 and 30 dBZ echo top height, vertically integrated liquid, and 6 km (mixed phase region) reflectivity CAPPIs. For almost all products, the parameter means showed virtually no diurnal cycle. However, for the upper-level products, the parameter spectra showed a clear peak in the occurrence of deep/vigorous convection (the "tail end of the distribution") between 7-9 UTC (1-3 AM local), while overall frequency of occurrence peaked later, from 12-15 UTC (6-9 AM local). This represents a daily "outbreak" of isolated deep cells a couple of hours after sunset and subsequent growth, organization and decay through the nighttime hours. The coherence of the diurnal cycle of the convective spectrum is impressive given the wide variety of convective organization observed during the experiment, and given the modulation by passage of 3-5 day easterly waves. While earlier satellite OLR composites suggested an offshore coastal migration of storms into the domain at night, examination of the 150 km and 300 km range radar products showed little evidence of such organization; almost all convection developed "in-place" within the analysis domain. Consistent with the diurnal thermodynamic and microphysical evolution, a clear cycle in cloud-to-ground (CG) lightning occurrence was observed. The local CG diurnal cycle is significantly stronger than the satellite-derived tropical ocean diurnal cycle of total (IC+CG) lightning. Flash rates of 3-4 fl/min were often visually observed after nightfall; these are fairly 'healthy' flash rates for tropical ocean storms, and the domain was qualitatively noted to be unusually lightning-productive by the R/V Brown crew (also consistent with satellite-based climatologies).

Boccippio, Dennis J.↗

New Methods for Predicting Non-Born-Oppenheimer Chemistry

Current methods for modeling non-adiabatic molecular dynamics face fundamental limitations when treating geometric phase effects: quantum mechanical phenomena where nuclear wavepackets acquire phase shifts when encircling conical intersections. Existing approaches either neglect these effects entirely or rely on potential energy surfaces arising from the Born-Oppenheimer approximation, which introduce artificial singularities and can overestimate geometric phase contributions. This project developed a new theoretical framework based on exact factorization (XF) methods to overcome these limitations. We derived mathematical formulations for hybrid quantum-classical XF dynamics that selectively treat critical nuclear degrees of freedom quantum mechanically while propagating others classically. This approach addresses the computational intractability that has previously limited exact methods to toy systems. Key innovations include a new approach to systematically identifying nuclear coordinates requiring quantum treatment, as well as novel implementation strategies that interface with existing quantum chemistry codes. The project also developed a proof-of-concept code for treating Jahn-Teller systems and creation of educational materials on non-adiabatic dynamics geared at the graduate level. The theoretical framework developed will enable future systematically improvable calculations of nuclear quantum effects in realistic molecular systems, filling a critical gap in non-adiabatic dynamics methods. This foundation supports future development of predictive tools for designing energy-relevant photochemical processes where quantum coherence effects may be exploited to control reaction outcomes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Signatures of electronic and nuclear coherences in ultrafast molecular x-ray and electron diffraction

Femtosecond x-ray and electron diffraction hold promise to image the evolving structures of single molecules. We present a unified quantum-electrodynamical formulation of diffraction signals, based on the exact many-body nuclear + electronic wavefunction that can be extracted from quantum chemistry simulations. This gives a framework for analyzing various approximate molecular dynamics simulations. We show that the complete description of ultrafast diffraction signals contains interesting contributions involving mixed elastic and inelastic scattered photons that are usually masked by other larger contributions and are neglected. These terms include overlaps of nuclear wavepackets between different electronic states that provide an electronic decoherence mechanism and are important for the time-resolved imaging of conical intersections.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Long-Term Space Astrophysics Program

This is the final report for our Long-Term Space Astrophysics Program (NRA 94-OSS-12) grant NAG 5-3225. The proposal is entitled 'Spectral and Temporal Properties of Black Hole Candidates', and began funding in May 1995, and ran through 31 Aug 2000. The project summary from the original proposal was as follows: 'We will study the spectral and temporal properties of black hole candidates (BHC) by using data from archival sources (e.g., EXOSAT, Ginga, ROSAT) and proposed follow-up observations with modern instruments (e.g., ASCA, XTE). Our spectral studies will focus on identifying the basic characteristics and luminosities of the emission components in the various 'states' of BHC. We hope to understand and quantify the global energetics of these states. Our temporal studies will focus on expanding and classifying our knowledge of BHC variability properties in each state. We will explore the nature of quasi-periodic oscillations in BHC. We will combine our spectral and temporal studies by analyzing time lags and variability coherence between energy channels. In addition, we will investigate ways of correlating observed variability behavior with specific emission components.' We have accomplished many of these goals laid out within the original proposal. As originally proposed, we have utilized both archival and proprietary satellite data. In terms of archival data, we have utilized data from the Advanced Satellite for Cosmology and Astrophysics (ASCA), ROSAT, and the Rossi X-ray Timing Explorer (RXTE). We also obtained proprietary data from ASCA, RXTE, and the Extreme Ultraviolet Explorer (EUVE). In terms of sources, we have examined a wide variety of both galactic black hole candidates and extra-galactic black holes. For the galactic black holes we have observed and analyzed both the low/hard state and the high/soft state. We have performed both spectral and timing analyses on all of these objects. In addition, we have also examined a number of neutron stars or potential neutron stars. All of our research on the above mentioned objects has resulted in one or more publications in peer-reviewed journals. Attached is a list of refereed publications of research results which have been funded by this grant over approximately the past five and a half years. In addition, we have included a list of conference proceedings and other similar reports that have been associated with this grant.

Nowark, Michael A.↗

Remote Sensing of Aerosol Backscatter and Earth Surface Targets By Use of An Airborne Focused Continuous Wave CO2 Doppler Lidar Over Western North America

Airborne lidar systems are used to determine wind velocity and to measure aerosol or cloud backscatter variability. Atmospheric aerosols, being affected by local and regional sources, show tremendous variability. Continuous wave (cw) lidar can obtain detailed aerosol loading with unprecedented high resolution (3 sec) and sensitivity (1 mg/cubic meter) as was done during the 1995 NASA Multi-center Airborne Coherent Atmospheric Wind Sensor (MACAWS) mission over western North America and the Pacific Ocean. Backscatter variability was measured at a 9.1 micron wavelength cw focused CO2 Doppler lidar for approximately 52 flight hours, covering an equivalent horizontal distance of approximately 30,000 km in the troposphere. Some quasi-vertical backscatter profiles were also obtained during various ascents and descents at altitudes that ranged from approximately 0.1 to 12 km. Similarities and differences for aerosol loading over land and ocean were observed. Mid-tropospheric aerosol backscatter background mode was approximately 6 x 10(exp -11)/ms/r, consistent with previous lidar datasets. While these atmospheric measurements were made, the lidar also retrieved a distinct backscatter signal from the Earth's surface from the unfocused part of the focused cw lidar beam during aircraft rolls. Atmospheric backscatter can be highly variable both spatially and temporally, whereas, Earth-surface backscatter is relatively much less variant and can be quite predictable. Therefore, routine atmospheric backscatter measurements by an airborne lidar also give Earth surface backscatter which can allow for investigating the Earth terrain. In the case where the Earth's surface backscatter is coming from a well-known and fairly uniform region, then it can potentially offer lidar calibration opportunities during flight. These Earth surface measurements over varying Californian terrain during the mission were compared with laboratory backscatter measurements using the same lidar of various Earth surfaces giving good agreement, suggesting that the lidar efficiency, and thus a lidar calibration factor for detection, can be estimated fairly well using Earth's surface signal.

Jarzembski, Maurice A.↗