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At least 361 records · Page 20

A hybrid approach to excited-state-specific variational Monte Carlo and doubly excited states

We extend our hybrid linear-method/accelerated-descent variational Monte Carlo optimization approach to excited states and investigate its efficacy in double excitations. In addition to showing a superior statistical efficiency when compared to the linear method, our tests on small molecules show good energetic agreement with benchmark methods. We also demonstrate the ability to treat double excitations in systems that are too large for a full treatment by using selected configuration interaction methods via an application to 4-aminobenzonitrile. Finally, we investigate the stability of state-specific variance optimization against collapse to other states’ variance minima and find that symmetry, Ansatz quality, and sample size all have roles to play in achieving stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Repeatability and Reproducibility of Compression Strength Measurements Conducted According to ASTM E9

Ten commercial laboratories participated in an interlaboratory study to establish the repeatability and reproducibility of compression strength tests conducted according to ASTM International Standard Test Method E9. The test employed a cylindrical aluminum AA2024-T351 test specimen. Participants measured elastic modulus and 0.2 % offset yield strength, YS(0.2 % offset), using an extensometer attached to the specimen. The repeatability and reproducibility of the yield strength measurement, expressed as coefficient of variations were cv(sub r)= 0.011 and cv(sub R)= 0.020 The reproducibility of the test across the laboratories was among the best that has been reported for uniaxial tests. The reported data indicated that using diametrically opposed extensometers, instead of a single extensometer doubled the precision of the test method. Laboratories that did not lubricate the ends of the specimen measured yield stresses and elastic moduli that were smaller than those measured in laboratories that lubricated the specimen ends. A finite element analysis of the test specimen deformation for frictionless and perfect friction could not explain the discrepancy, however. The modulus measured from stress-strain data were reanalyzed using a technique that finds the optimal fit range, and applies several quality checks to the data. The error in modulus measurements from stress-strain curves generally increased as the fit range decreased to less than 40 % of the stress range.

Luecke, William E.↗

Theoretical prediction of erosive burning characteristics of solid rocket propellant based on burning rate dependence of pressure and initial temperature and its energetic characteristics

New theoretical method for prediction of erosive burning characteristics of solid propellant, using known ballistic and thermodynamic data only, is presented. Method is based on modified Lenoir-Robillard formula, and is applicable for composite and double base propellants, with or without negative erosion effect. Method is confirmed using experimental data of numerous authors.

Jojic, B.↗

$O(N)$ ab initio calculation scheme for large-scale moiré structures

Here we present a two-step method specifically tailored for band structure calculation of the small-angle moiré-pattern materials which contain tens of thousands of atoms in a unit cell. In the first step, the self-consistent field calculation for the ground state is performed with the O(N) Krylov subspace method implemented in openmx. Second, the crystal momentum-dependent Bloch Hamiltonian and overlap matrix are constructed from the results obtained in the first step and only a small number of eigenvalues near the Fermi energy are solved with shift-invert and Lanczos techniques. By systematically tuning two key parameters, the cutoff radius for electron hopping interaction and the dimension of the Krylov subspace, we obtained the band structures for both rigid and corrugated twisted bilayer graphene structures down to the first magic angle (θ = 1.08°) with high enough accuracy at affordable costs. The band structures are in good agreement with those from tight-binding models, continuum models, plane-wave pseudopotential based ab initio calculations, and experimental observations. This method is also shown to be efficient in twisted double-bilayer graphene and bilayer WSe 2 . We think this two-step method can play a crucial role in other twisted two-dimensional materials, especially those with much more complex band structure and where the effective model is hard to construct.

36 MATERIALS SCIENCE↗

A direct gravitational lensing test for 10 exp 6 solar masses black holes in halos of galaxies

We propose a method that will be able to detect or exclude the existence of 10 exp 6 solar masses black holes in the halos of galaxies. VLBA radio maps of two milliarcsecond jets of a gravitationally lensed quasar will show the signature of these black holes - if they exist. If there are no compact objects in this mass range along the line of sight, the two jets should be linear mappings of each other. If they are not, there must be compact objects of about 10 exp 6 solar masses in the halo of the galaxy that deform the images by gravitational deflection. We present numerical simulations for the two jets A and B of the double quasar 0957 + 561, but the method is valid for any gravitationally lensed quasar with structure on milliarcsecond scales. As a by-product from high-quality VLBA maps of jets A and B, one will be able to tell which features in the maps are intrinsic in the original jet and which are only an optical illusion, i.e., gravitational distortions by black holes along the line of sight.

Wambsganss, Joachim↗

Two splits, three ways: advances in double splitting quenches

In this work we introduce a method for calculating holographic duals of BCFTs with more than two boundaries. We apply it to calculating the dynamics of entanglement entropy in a 1+1d CFT that is instantaneously split into multiple segments and calculate the entanglement entropy as a function of time for the case of two splits, showing that our approach reproduces earlier results for the double split case. Our manuscript lays the groundwork for future calculations of the entanglement entropy for more than two splits and systems at nonzero temperature.

AdS-CFT correspondence↗

Efficient Credit Assignment through Evaluation Function Decomposition

Evolutionary methods are powerful tools in discovering solutions for difficult continuous tasks. When such a solution is encoded over multiple genes, a genetic algorithm faces the difficult credit assignment problem of evaluating how a single gene in a chromosome contributes to the full solution. Typically a single evaluation function is used for the entire chromosome, implicitly giving each gene in the chromosome the same evaluation. This method is inefficient because a gene will get credit for the contribution of all the other genes as well. Accurately measuring the fitness of individual genes in such a large search space requires many trials. This paper instead proposes turning this single complex search problem into a multi-agent search problem, where each agent has the simpler task of discovering a suitable gene. Gene-specific evaluation functions can then be created that have better theoretical properties than a single evaluation function over all genes. This method is tested in the difficult double-pole balancing problem, showing that agents using gene-specific evaluation functions can create a successful control policy in 20 percent fewer trials than the best existing genetic algorithms. The method is extended to more distributed problems, achieving 95 percent performance gains over tradition methods in the multi-rover domain.

Agogino, Adrian↗

Nondestructive measurements of residual 235 U mass of Israeli Research Reactor-1 fuel using the Advanced Experimental Fuel Counter

In 2018, a measurement campaign took place with participants from Los Alamos National Laboratory (LANL), the Nuclear Research Centre-Negev (NRCN) and Soreq Nuclear Research Center (SNRC) at the Israeli Research Reactor-1 (IRR-1) in which 14 of the reactor’s used fuel assemblies (FAs) with varied amount of depletion were measured with the nondestructive assay instrument Advanced Experimental Fuel Counter (AEFC). Designed for safeguards purposes, the AEFC measures both neutrons emitted from the FA (passive neutrons) and fission neutrons induced by an external neutron source (in this experiment, 252 Cf). Signals recorded with the AEFC include total neutron count rates (Singles), time-correlated neutron count rates (Doubles), and total gamma-ray count rates. The 235 U content of the FAs was previously assessed by two independent methods: (1) measurement of the transparency of the FA to low-energy gamma rays from an activated rhenium source (rhenium gamma transmission, or the RGT method) and (2) calculation of the 30-year burnup history of the core using detailed three-dimensional Monte-Carlo core depletion calculations. The results from the FAs that had been measured via the RGT method were used to construct the calibration curves, which translate the AEFC count rates to 235 U mass. Then, the calibration was evaluated using AEFC measurements of six additional FAs that were not measured via the RGT method. From the results, it was determined the Doubles calibration curve was more reliable than that of the Singles and follows a simple second-order polynomial fit for the whole range of residual 235 U mass content, albeit with larger statistical uncertainty. Detailed uncertainties quantification was conducted for both the AEFC Singles and Doubles. This includes the analysis of statistical uncertainties, calibration uncertainty, and random uncertainties due to the sensitivity of the AEFC to several sources of uncertainty, namely the FA position, FA orientation, interrogation source position, and ambient pool temperature. Finally, an overall total uncertainty of 6 g of 235 U is estimated for the Singles and Doubles, which is mainly due to calibration uncertainty (for the Singles) and statistical uncertainty (for the Doubles), and which constitutes 3%–6% of the 235 U total mass in the FAs, depending on their level of depletion.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A viscous/potential flow interaction analysis method for multi-element infinite swept wings, volume 1

An analysis method and computer program have been developed for the calculation of the viscosity dependent aerodynamic characteristics of multi-element infinite swept wings in incompressible flow. The wing configuration consisting at the most of a slat, a main element and double slotted flap is represented in the method by a large number of panels. The inviscid pressure distribution about a given configuration in the normal chord direction is determined using a two dimensional potential flow program employing a vortex lattice technique. The boundary layer development over each individual element of the high lift configuration is determined using either integral or finite difference boundary layer techniques. A source distribution is then determined as a function of the calculated boundary layer displacement thickness and pressure distributions. This source distribution is included in the second calculation of the potential flow about the configuration. Once the solution has converged (usually after 2-5 iterations between the potential flow and boundary layer calculations) lift, drag, and pitching moments can be determined as functions of Reynolds number.

Dvorak, F. A.↗

Long-Term Photovoltaic System Performance in Cold, Snowy Climates

As countries around the world transition towards renewable energy, there is increasing interest in using photovoltaic (PV) technologies to help decarbonize northern and alpine communities due to their scalability and affordability. However, a barrier to large-scale adoption of PV in cold climates is long-term performance uncertainty under snowfall, freeze-thaw cycles, low temperatures, and high winds. In this work, we provide a comprehensive review of published silicon degradation rates in cold Koppen-Geiger climate classifications of Dfb (humid continental), Dfc (subarctic), and ET (tundra). We first analyze the system degradation rates of three subarctic ground-mounted photovoltaic sites in North America using the RdTools year-on-year method: an Al-BSF double-axis tracking site in Fairbanks, Alaska (65degrees N); a PERC and silicon heterojunction bifacial vertical and south-tilted site in Fairbanks, Alaska; and a PERC south-facing fixed-tilt site in Fort Simpson, Northwest Territories (62degrees N). Degradation rates of these newly analyzed sites vary between -0.4%/year and -1.5%/year. Combining these data with previously reported cold climate degradation rates, we show that the distribution of cold climate degradation peaks at -0.1%/year to -0.2%/year but has a large tail with rates above -0.5%/year. The average reported cold climate degradation rate is -0.45%/year, whereas the median value is -0.33%/year. These results suggest that despite frequent freeze-thaw cycles and potential exposure to high wind and snow loads, PV systems in cold climates tend to degrade slower than PV systems in warmer climates. The limited sample size of reported degradation rates in cold climates (27) motivates the need for further data acquisition and monitoring efforts as new technologies are deployed.

14 SOLAR ENERGY↗

BHResist [SWR-25-57]

BHResist is a pure python library for computing thermal resistance within single-u, double-u, and coaxial grouted borehole heat exchangers. For single and double u-tube configurations, the methods use the 1st-order closed-form multipole approximations, which typically produces results with less than 1% error when compared to the 10th-order multipole method. Coaxial borehole methods apply a simple 1D resistance network method. This is intended to be a lightweight library that can be easily imported into any other Python tool, with no bulky dependencies.

Mitchell, Matt [National Renewable Energy Laborato↗

The effect of multiple encounters on short period comet orbits

The observed orbital elements of short period comets are found to be consistent with the hypothesis of derivation from long period comets as long as two assumptions are made. First, the distribution of short period comets has been randomized by multiple encounters with Jupiter and second, the short period comets have lower velocities of encounter with Jupiter than is generally expected. Some 16% of the observed short period comets have lower encounter velocities than is allowed mathematically using Laplace's method. This may be due to double encounter processes with Jupiter and Saturn, or as a result of prolonged encounters. The distribution of unobservable short period comets can be inferred in part from the observed comets. Many have orbits between Jupiter and Saturn with somewhat higher inclinations than those with perihelions near the earth. Debris from those comets may form the major component of the zodiacal dust.

Lowrey, B. E.↗

Measurement of fluid properties using rapid-double-exposure and time-average holographic interferometry

The holographic recording of the time history of a flow feature in three dimensions is discussed. The use of diffuse illumination holographic interferometry or the three dimensional visualization of flow features such as shock waves and turbulent eddies is described. The double-exposure and time-average methods are compared using the characteristic function and the results from a flow simulator. A time history requires a large hologram recording rate. Results of holographic cinematography of the shock waves in a flutter cascade are presented as an example. Future directions of this effort, including the availability and development of suitable lasers, are discussed.

Decker, A. J.↗

Measurement of fluid properties using rapid-double-exposure and time-average holographic interferometry

The holographic recording of the time history of a flow feature in three dimensions is discussed. The use of diffuse illumination holographic interferometry or the three-dimensional visualization of flow features such as shock waves and turbulent eddies is described. The double-exposure and time-average methods are compared using the characteristic function and the results from a flow simulator. A time history requires a large hologram recording rate. Results of holographic cinematography of the shock waves in a flutter cascade are presented as an example. Future directions of this effort, including the availability and development of suitable lasers, are discussed. Previously announced in STAR as N84-21849

Decker, A. J.↗

Stratospheric conductivity variations over thunderstorms

This paper reports the first in-situ observation of variations in the electrical conductivity over thunderstorms at 26 km altitude. The vector electric field, positive and negative polar conductivity, and optical lightning power/flash were measured by payloads on superpressure balloons in the Southern Hemisphere in early 1984. It is found that in 72 percent of the thunderstorm periods observed (or in 23 of 32 periods) there were clear cases of conductivity variations while the balloons were over the thunderstorms. Examples from two separate balloons at widely separated dates and locations showing both daytime and nighttime events are presented. The conductivity measurements are made with the relaxation technique, and the vector field measurements are based on the double Langmuir probe high-impedance method. It is found that the positive and negative conductivity measurements vary independently and have a different temporal profile than the dc electric field. The polar conductivity variations can exceed a factor of 2 at this altitude. In seven of the nine most intense thunderstorm events the total conductivity increased, while in only one of these nine events did it decrease (one event had no change). Implications of these observations for global current patterns are discussed.

Holzworth, R. H.↗

Crack growth in single-crystal silicon

Crack growth in single-crystal silicon at room temperature in air was evaluated by double torsion (DT) load-relaxation method and monitored by acoustic emission (AE) technique. Both DT and AE methods indicated lack of subcritical crack growth in silicon. At the critical stress intensity factor, the crack front was found to be jumping several times in a 'mirror' region and then followed by fast crack growth in a 'hackle' region. Hackle marks were found to be associated with plastic deformation at the tip of the fast moving crack. No dislocation etch pits were found in the 'mirror' region, in which crack growth may result from interatomic bonds broken at the crack tip under stress without any plastic deformation. Acoustic emission appears to be spontaneously generated from both interatomic bonds broken and dislocation generation at the moving crack tip during the crack growth in single-crystal silicon.

Chen, C. P.↗