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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Multireference symmetry-projected variational approximation for the ground state of the doped one-dimensional Hubbard model

The few determinant (FED) approximation introduced in our previous work [Phys. Rev. B 87, 235129 (2013)] is used to describe the ground state, characterized by well-defined spin and space group symmetry quantum numbers as well as doping fractions $N_e/N_{\text{sites}}$, of one-dimensional Hubbard lattices with nearest-neighbor hopping and periodic boundary conditions. Within this multireference scheme, each ground state is expanded in a given number of nonorthogonal and variationally determined symmetry-projected configurations. The results obtained for the ground-state and correlation energies of half-filled and doped lattices with 30, 34, and 50 sites compare well with the exact Lieb-Wu solutions as well as with those obtained with other state-of-the-art approximations. The structure of the intrinsic symmetry-broken determinants resulting from the variational procedure is interpreted in terms of solitons whose translational and breathing motions can be regarded as basic units of quantum fluctuations. It is also shown that in the case of doped one-dimensional lattices, a part of such fluctuations can also be interpreted in terms of polarons. In addition to momentum distributions, both spin-spin and density-density correlation functions are studied as functions of doping. Further, the spectral functions and density of states, computed with an ansatz whose quality can be well controlled by the number of symmetry-projected configurations used to approximate the $N_e$ ± 1 electron systems, display features beyond a simple quasiparticle distribution, as well as spin-charge separation trends.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Asymmetric band gaps in a Rashba film system

The joint effect of exchange and Rashba spin-orbit interactions is examined on the surface and quantum well states of Ag 2 Bi -terminated Ag films grown on ferromagnetic Fe(110). The system displays a particular combination of time-reversal and translational symmetry breaking that strongly influences its electronic structure. Angle-resolved photoemission reveals asymmetric band-gap openings, due to spin-selective hybridization between Rashba-split surface states and exchange-split quantum well states. This results in an unequal number of states along positive and negative reciprocal space directions. We suggest that the peculiar asymmetry of the discovered electronic structure can have significant influence on spin-polarized transport properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Slave boson theory of orbital differentiation with crystal field effects: Application to UO 2

We derive an exact operatorial reformulation of the rotational invariant slave boson method, and we apply it to describe the orbital differentiation in strongly correlated electron systems starting from first principles. The approach enables us to treat strong electron correlations, spin-orbit coupling, and crystal field splittings on the same footing by exploiting the gauge invariance of the mean-field equations. Furthermore, we apply our theory to the archetypical nuclear fuel UO 2 and show that the ground state of this system displays a pronounced orbital differentiation within the 5f manifold, with Mott-localized Γ 8 and extended Γ 7 electrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Charge-4e Superconductivity from Multicomponent Nematic Pairing: Application to Twisted Bilayer Graphene

We show that unconventional nematic superconductors with multicomponent order parameter in lattices with three- and sixfold rotational symmetries support a charge-4e vestigial superconducting phase above T c . The charge-4e state, which is a condensate of four-electron bound states that preserve the rotational symmetry of the lattice, is nearly degenerate with a competing vestigial nematic state, which is nonsuperconducting and breaks the rotational symmetry. This robust result is the consequence of a hidden discrete symmetry in the Ginzburg-Landau theory, which permutes quantities in the gauge sector and in the crystalline sector of the symmetry group. We argue that random strain generally favors the charge-4e state over the nematic phase, as it acts as a random mass to the former but as a random field to the latter. Furthermore, we propose that two-dimensional inhomogeneous systems displaying nematic superconductivity, such as twisted bilayer graphene, provide a promising platform to realize the elusive charge-4e superconducting phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Computational prediction of ferromagnetic 𝐴⁢𝑇 6 ⁢𝑋 6 kagome compounds

We present a systematic high-throughput density-functional-theory investigation of the structural and magnetic stability of 312 substitutional compounds in the magnetic kagome 𝐴⁢𝑇 6⁢ 𝑋 6 family. Our screening confirms the stability of many previously reported structures and predicts several additional stable candidates. Within collinear spin configurations, we find that Fe-based systems predominantly adopt antiferromagnetic ground states, whereas Mn-based analogs exhibit a more balanced distribution between ferromagnetic and antiferromagnetic order. For compounds exhibiting several nearly degenerate collinear configurations, we analyze the nature of their magnetic ground states, assess the possible emergence of noncollinear order, and discuss the limitations and uncertainties inherent to standard density-functional approaches. Our electronic structure analysis further reveals that predicted ferromagnetic kagome systems display characteristic features of topological metals, with rich magnetic configurations that can be tuned by chemical substitution. Altogether, these ferromagnetic kagome compounds constitute a broad and still largely unexplored materials platform for the emergence of exciting magnetotransport phenomena.

Density functional calculations↗
DOE OSTI2019

Experimental observation of chiral phonons in monolayer WSe2

Copyright © 2019 SPIE. Chirality characterizes an object that is not identical to its mirror image. In condensed matter physics, Fermions have been demonstrated to obtain chirality through structural and time-reversal symmetry breaking. These systems display unconventional electronic transport phenomena such as the quantum Hall effect and Weyl semimetals. However, for bosonic collective excitations in atomic lattices, chirality was only theoretically predicted and has never been observed. We experimentally show that phonons can exhibit intrinsic chirality in monolayer tungsten diselenide, whose lattice breaks the inversion symmetry and enables inequivalent electronic K and -K valley states. The time-reversal symmetry is also broken when we selectively excite the valley polarized holes by circularly polarized light. Brillouin-zone-boundary phonons are then optically created by the indirect infrared absorption through the hole-phonon interactions. The unidirectional intervalley transfer of holes ensures that only the phonon modes in one valley are excited. We found that such photons are chiral through the transient infrared circular dichroism, which proves the valley phonons responsible to the indirect absorption has non-zero pseudo-angular momentum. From the spectrum we further deduce the energy transferred to the phonons that agrees with both the first principle calculation and the double-resonance Raman spectroscopy. The chiral phonons have significant implications for electron-phonon coupling in solids, lattice-driven topological states, and energy efficient information processing.

Zhu, Hanyu↗
DOE OSTI2015

SU-E-P-46: Clinical Acceptance Testing and Implementation of a Portable CT Unit

Purpose: Planning for the first installation in New England of a new portable CT unit to be used in the Operating Room required the integration of many departments including Surgery, Neurosurgery, Information Services, Clinical Engineering, Radiology and Medical Physics/Radiation Safety. Acceptance testing and the quality assurance procedures were designed to optimize image quality and patient and personnel radiation exposure. Methods: The vendor’s protocols were tested using the CT Dosimetry phantoms. The system displayed the CTDIw instead of the CTDIvol while testing the unit. Radiation exposure was compared to existing CT scanners from installed CT units throughout the facility. Brainlab measures all 4 periphery slots on the CT Dosimetry phantom. The ACR measures only the superior slot for the periphery measurement. A comprehensive radiation survey was also performed for several locations. Results: The CTDIvol measurements were comparable for the following studies: brain, C-Spine, and sinuses. However, the mobile CT measurements were slightly higher than other CT units but within acceptable tolerance if measured using the ACR method.Based on scatter measurements, it was determined if any personnel were to stay in the OR Suite during image acquisition that the appropriate lead apron and thyroid shields had to be worn.In addition, to reduce unnecessary scatter, there were two mobile 6 foot wide shields (1/16″ lead equivalent) available to protect personnel in the room and adjacent areas. Conclusion: Intraoperative CT provides the physician new opportunities for evaluation of the progression of surgical resections and device placement at the cost of increasing the amount of trained personnel required to perform this procedure. It also brings with it challenges to keep the radiation exposure to the patients and staff within reasonable limits.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TU-H-207A-01: Development of Conversion Factors to Account for Different CTDI Phantom Setups On a Wide-Beam CT Scanner

Purpose: A fundamental measure performed during an annual physics CT evaluation confirms that system displayed CTDIvol nearly matches the independently measured value in phantom. For wide-beam (z-direction) CT scanners, AAPM Report 111 defined an ideal measurement method; however, the method often lacks practicality. The purpose of this preliminary study is to develop a set of conversion factors for a wide-beam CT scanner, relating the CTDIvol measured with a conventional setup (single CTDI phantom) versus the AAPM Report 111 approach (three abutting CTDI phantoms). Methods: For both the body CTDI and head CTDI, two acquisition setups were used: A) conventional single phantom and B) triple phantom. Of primary concern were the larger nominal beam widths for which a standard CTDI phantom setup would not provide adequate scatter conditions. Nominal beam width (160 or 120 mm) and kVp (100, 120, 140) were modulated based on the underlying clinical protocol. Exposure measurements were taken using a CT pencil ion chamber in the center and 12 o’clock position, and CTDIvol was calculated with ‘nT’ limited to 100 mm. A conversion factor (CF) was calculated as the ratio of CTDIvol measured in setup B versus setup A. Results: For body CTDI, the CF ranged from 1.04 up to 1.10, indicating a 4–10% difference between usage of one and three phantoms. For a nominal beam width of 160 mm, the CF did vary with selected kVp. For head CTDI at nominal beam widths of 120 and 160 mm, the CF was 1.00 and 1.05, respectively, independent of the kVp used (100, 120, and 140). Conclusions: A clear understanding of the manufacturer method of estimating the displayed CTDIvol is important when interpreting annual test results, as the acquisition setup may lead to an error of up to 10%. With appropriately defined CF, single phantom use is feasible.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2013

Gravity Gradiometry: A Novel Application for Compressed Sensing

During the past decade, compressed sensing (CS) has proven to be extremely useful for sparse signal reconstruction. Here the method of CS is applied to fast mass distribution determination based on cold atom gravity gradiometer measurements. Specifically we consider an array of M gradiometers placed around a 2D target area in order to determine the interior mass distribution in cases where the set of (M) sensor measurements under samples the distribution. This was done by assuming that the system’s sparsity comes from the mass distributions only having K non-zero masses, which led to a non-orthogonal basis dictionary. This lack of orthogonality caused interesting behaviors, including weakened noise performance, and breaking of the typical CS motivated logarithmic scaling of required M values for larger K values. However, for low K values M scaled as expected. Modifications to the gravity sensor model to promote orthogonality and test its impact on signal recovery postponed the onset of anomalous scaling; suggesting that lack of orthogonality is the primary cause. While CS works for this sparse, but intrinsically ill-posed problem, this sensor system displayed increased noise sensitivity and a smaller upper bound on the size of recoverable K sets. However, while these limitations decrease CS performance, significant improvements over traditional sensing approaches are still possible.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

STREAM II-V8: Revision for STREAM II-V7 to Include Spatially Variable Radar Derived Rainfall

STREAM II is the aqueous transport model of the Weather Information and Display System (WINDS). It is used to calculate downstream transport in the event of a radiological or chemical spill into the waterways on the Savannah River Site during emergency operations. Improvements were made to the code to include spatially variable radar derived rainfall to improve the accuracy of model estimates of watershed runoff and flow values. In addition, watershed runoff curves for low rainfall values (<1 inch) were improved to provide better stream flow estimates.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Evaluating Probability of Assessment for Central Alarm Station Operators

This project focused on developing and analyzing a method that could be employed by operational nuclear facilities to evaluate their CAS operators and determine a probability of assessment for each operator. This method is agnostic of alarm communication and display system (AC&D), sensors and cameras in place in the field, and any other technical security measures. This security-measure-agnostic method enables operational facilities to adopt it to determine the effectiveness of their alarm station operators.

42 ENGINEERING↗
DOE OSTI2023

Precursor Analysis Report: SQL Slammer Worm Infection of Davis-Besse Nuclear Power Plant 2003

The SQL Slammer Worm Infection of Davis-Besse Nuclear Power Plant 2003 Precursor Analysis Report leverages publicly available information about Davis-Besse’s 2003 cyber attack and catalogs anomalous observables for each technique employed in the attack. This analysis is based upon the methodology of the Cybersecurity for the Operational Technology Environment (CyOTE) program. On 25 January 2003, the SQL Slammer worm infected more than 90% of vulnerable hosts and crashed the internet in 10 to 15 minutes, making it one of the fastest spreading worms in history. SQL Slammer is a fileless, memory-resident worm that remotely exploits a stack-based buffer overflow vulnerability on local hosts to intensively scan and rapidly self-propagate across the internet. The worm infected approximately 300,000 unpatched hosts running Microsoft Structured Query Language (SQL) Server 2000 or Microsoft Desktop Engine (MSDE) 2000 with SQL Server Resolution Service. The SQL Slammer worm indirectly infected FirstEnergy’s Davis-Besse nuclear power plant by first infecting a consultant’s company network server and then propagating through an external misconfigured connection into Davis-Besse’s site network. The infection caused major network congestion, slow performance, data overloads, and the inability of local hosts to communicate with each other, which eventually caused a loss of availability and a loss of view when the Safety Parameter Display System (SPDS) and Plant Process Computer (PPC) crashed. At the time of the infection, the plant was already offline, the digital monitoring systems had redundant analog backups, and the plant control and safety functions were not affected, so there were no concerns of a safety breach. However, this incident resulted in many lessons learned and spawned important discussions about cybersecurity’s role in nuclear safety and electric power reliability regulation, policy, and guidance. Researchers and analysts identified 10 unique techniques utilized during the attack with a total of 640 observables using MITRE ATT&CK® for Industrial Control Systems. The CyOTE program assesses observables accompanying techniques used prior to the triggering event to identify opportunities to detect malicious activity. If observables accompanying the attack techniques are perceived and investigated prior to the triggering event, earlier comprehension of malicious activity can take place. Eight of the identified techniques used during Davis-Besse cyber attack were precursors to the triggering event. Analysis identified 596 observables associated with these precursor techniques, 428 of which were assessed to have an increased likelihood of being perceived in the 331 days preceding the triggering event. The response and comprehension time could have been reduced if the observables had been identified earlier. The information gathered in this report contributes to a library of observables tied to a repository of artifacts, data sources, and technique detection references for practitioners and developers to support the comprehension of indicators of attack. Asset owners and operators can use these products if they experience similar observables or to prepare for comparable scenarios.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2018

Many Routes to an Antibody Heavy-Chain CDR3: Necessary, Yet Insufficient, for Specific Binding

Because of its great potential for diversity, the immunoglobulin heavy-chain complementarity-determining region 3 (HCDR3) is taken as an antibody molecule’s most important component in conferring binding activity and specificity. For this reason, HCDR3s have been used as unique identifiers to investigate adaptive immune responses in vivo and to characterize in vitro selection outputs where display systems were employed. Here, we show that many different HCDR3s can be identified within a target-specific antibody population after in vitro selection. For each identified HCDR3, a number of different antibodies bearing differences elsewhere can be found. In such selected populations, all antibodies with the same HCDR3 recognize the target, albeit at different affinities. In contrast, within unselected populations, the majority of antibodies with the same HCDR3 sequence do not bind the target. In one HCDR3 examined in depth, all target-specific antibodies were derived from the same VDJ rearrangement, while non-binding antibodies with the same HCDR3 were derived from many different V and D gene rearrangements. Careful examination of previously published in vivo datasets reveals that HCDR3s shared between, and within, different individuals can also originate from rearrangements of different V and D genes, with up to 26 different rearrangements yielding the same identical HCDR3 sequence. On the basis of these observations, we conclude that the same HCDR3 can be generated by many different rearrangements, but that specific target binding is an outcome of unique rearrangements and VL pairing: the HCDR3 is necessary, albeit insufficient, for specific antibody binding.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Femtosecond Laser-Induced Nano-Joining of Volatile Tellurium Nanotube Memristor

Nanowire/nanotube memristor devices provide great potential for random-access high-density resistance storage. However, fabricating high-quality and stable memristors is still challenging. This paper reports multileveled resistance states of tellurium (Te) nanotube based on the clean-room free femtosecond laser nano-joining method. The temperature for the entire fabrication process was maintained below 190 °C. A femtosecond laser joining technique was used to form nanowire memristor units with enhanced properties. Femtosecond (fs) laser-irradiated silver-tellurium nanotube-silver structures resulted in plasmonic-enhanced optical joining with minimal local thermal effects. This produced a junction between the Te nanotube and the silver film substrate with enhanced electrical contacts. Noticeable changes in memristor behavior were observed after fs laser irradiation. Capacitor-coupled multilevel memristor behavior was observed. Compared to previous metal oxide nanowire-based memristors, the reported Te nanotube memristor system displayed a nearly two-order stronger current response. The research displays that the multileveled resistance state is rewritable with a negative bias.

42 ENGINEERING↗
DOE OSTI2016

TESTING THE PROPAGATING FLUCTUATIONS MODEL WITH A LONG, GLOBAL ACCRETION DISK SIMULATION

The broadband variability of many accreting systems displays characteristic structures; log-normal flux distributions, root-mean square (rms)-flux relations, and long inter-band lags. These characteristics are usually interpreted as inward propagating fluctuations of the mass accretion rate in an accretion disk driven by stochasticity of the angular momentum transport mechanism. We present the first analysis of propagating fluctuations in a long-duration, high-resolution, global three-dimensional magnetohydrodynamic (MHD) simulation of a geometrically thin ( h / r ≈ 0.1) accretion disk around a black hole. While the dynamical-timescale turbulent fluctuations in the Maxwell stresses are too rapid to drive radially coherent fluctuations in the accretion rate, we find that the low-frequency quasi-periodic dynamo action introduces low-frequency fluctuations in the Maxwell stresses, which then drive the propagating fluctuations. Examining both the mass accretion rate and emission proxies, we recover log-normality, linear rms-flux relations, and radial coherence that would produce inter-band lags. Hence, we successfully relate and connect the phenomenology of propagating fluctuations to modern MHD accretion disk theory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Absolute Dimensions of the Eccentric Eclipsing Binary V541 Cygni

We report new spectroscopic and photometric observations of the main-sequence, detached, eccentric, double-lined eclipsing binary V541 Cyg (P = 15.34 days, e = 0.468). Using these observations together with existing measurements, we determine the component masses and radii to better than 1% precision: M{sub 1}=2.335{sub −0.013}{sup +0.017} M{sub ⊙}, M{sub 2}=2.260{sub −0.013}{sup +0.016} M{sub ⊙}, R{sub 1}=1.859{sub −0.009}{sup +0.012} R{sub ⊙}, and R{sub 2}=1.808{sub −0.013}{sup +0.015} R{sub ⊙}. The nearly identical B9.5 stars have estimated effective temperatures of 10650 ± 200 K and 10350 ± 200 K. A comparison of these properties with current stellar evolution models shows excellent agreement at an age of about 190 Myr and [Fe/H] ≈ −0.18. Both components are found to be rotating at the pseudo-synchronous rate. The system displays a slow periastron advance that is dominated by general relativity (GR), and has previously been claimed to be slower than predicted by theory. Our new measurement, ω-dot =0.859{sub −0.017}{sup +0.042} deg century{sup −1}, has an 88% contribution from GR and agrees with the expected rate within the uncertainties. We also clarify the use of the gravity darkening coefficients in the light-curve fitting Eclipsing Binary Orbit Program (EBOP), a version of which we use here.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Star Formation in Splash Bridges

Splash bridges are created from the direct collision of two gas-rich disk galaxies. These direct collisions can eject gas masses on the order of 10 10 M ⊙ stripped from the stellar disks of each galaxy. The Taffy Galaxy system (UGC 1294/5) is a prototypical example of a splash bridge system. CO observations of the Taffy revealed that its splash bridge contains a mass of H 2 equal to the Milky Way's H 2 mass. However, the little visible star formation occurring within the bridge highlights the need for models of direct gas-rich disk collisions. The Arp 194 system displays what may be another splash bridge resulting from the collision between two disk galaxies. The region between the two stellar disks contains bright clumps of active star formation. We aim to better understand the conditions for star formation in splash bridges by employing a Jeans criterion to determine where gravitational instabilities occur in the shocked and cooling gas of gas-rich disk collisions. The splash bridge results are obtained from our previous work using a sticky particle code and post-processed. We find that the inclination between the gas disks and the collision velocity with which the gas collides strongly affects the fraction of gas that will become gravitationally unstable. Low inclinations between gas disks produce starbursts whereas high inclinations result in steady-rate star formation. The offset of the gas disks at impact will determine how many gas elements directly collide but does not strongly affect the resulting star formation.

79 ASTRONOMY AND ASTROPHYSICS↗