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At least 793 records · Page 44

$O(N)$ 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↗

The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP): Overview and Description of Models, Simulations and Climate Diagnostics

The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) consists of a series of time slice experiments targeting the long-term changes in atmospheric composition between 1850 and 2100, with the goal of documenting composition changes and the associated radiative forcing. In this overview paper, we introduce the ACCMIP activity, the various simulations performed (with a requested set of 14) and the associated model output. The 16 ACCMIP models have a wide range of horizontal and vertical resolutions, vertical extent, chemistry schemes and interaction with radiation and clouds. While anthropogenic and biomass burning emissions were specified for all time slices in the ACCMIP protocol, it is found that the natural emissions are responsible for a significant range across models, mostly in the case of ozone precursors. The analysis of selected present-day climate diagnostics (precipitation, temperature, specific humidity and zonal wind) reveals biases consistent with state-of-the-art climate models. The model-to- model comparison of changes in temperature, specific humidity and zonal wind between 1850 and 2000 and between 2000 and 2100 indicates mostly consistent results. However, models that are clear outliers are different enough from the other models to significantly affect their simulation of atmospheric chemistry.

humidity↗

New level scheme and lifetime measurement of the 13/2 + state in 209 Po

The level structure of 209 Po has been studied by in-beam 𝛾-ray spectroscopy with the 209 Bi ⁢( 6 Li ,𝛼⁢2⁢𝑛) 209 Po reaction at beam energies of 28, 30, 34 MeV. The level scheme of 209 Po is expanded by the 𝛾−𝛾 coincidence measurement, where 27 new transitions and 23 new levels are observed. The lifetimes of 13/2 − , 17/2 − , and 23/2 + states are obtained and are consistent with the previous work, while the one of the 13/2 + state is measured for the first time. A configuration-interaction-shell-model calculation is performed, and its results are compared with the experimental results for 209 Po , with an emphasis on the coupling between the single valence neutron hole and the even-even core of 210 Po . A systematic comparison of the 13/2 + state in N = 125 chain is also studied in the current work.

190 ≤ A ≤ 219↗

QES-Plume v1.0: a Lagrangian dispersion model

Low-cost simulations providing accurate predictions of transport of airborne material in urban areas, vegetative canopies, and complex terrain are demanding because of the small-scale heterogeneity of the features influencing the mean flow and turbulence fields. Common models used to predict turbulent transport of passive scalars are based on the Lagrangian stochastic dispersion model. The Quick Environmental Simulation (QES) tool is a low-computational-cost framework developed to provide high-resolution wind and concentration fields in a variety of complex atmospheric-boundary-layer environments. Part of the framework, QES-Plume, is a Lagrangian dispersion code that uses a time-implicit integration scheme to solve the generalized Langevin equations which require mean flow and turbulence fields. Here, QES-Plume is driven by QES-Winds, a 3D fast-response model that computes mass-consistent wind fields around buildings, vegetation, and hills using empirical parameterizations, and QES-Turb, a local-mixing-length turbulence model. In this paper, the particle dispersion model is presented and validated against analytical solutions to examine QES-Plume’s performance under idealized conditions. In particular, QES-Plume is evaluated against a classical Gaussian plume model for an elevated continuous point-source release in uniform flow, the Lagrangian scaling of dispersion in isotropic turbulence, and a non-Gaussian plume model for an elevated continuous point-source release in a power-law boundary-layer flow. In these cases, QES-Plume yields a maximum relative error below 6 % when compared with analytical solutions. In addition, the model is tested against wind-tunnel data for a uniform array of cubical buildings. QES-Plume exhibits good agreement with the experiment with 99 % of matched zeros and 59 % of the predicted concentrations falling within a factor of 2 of the experimental concentrations. Furthermore, results also emphasize the importance of using high-quality turbulence models for particle dispersion in complex environments. Finally, QES-Plume demonstrates excellent computational performance.

58 GEOSCIENCES↗

Radio astronomy Explorer B antenna aspect processor

The antenna aspect system used on the Radio Astronomy Explorer B spacecraft is described. This system consists of two facsimile cameras, a data encoder, and a data processor. Emphasis is placed on the discussion of the data processor, which contains a data compressor and a source encoder. With this compression scheme a compression ratio of 8 is achieved on a typical line of camera data. These compressed data are then convolutionally encoded.

Miller, W. H.↗

Steady state decoupling and design of linear multivariable systems

A constructive criterion for decoupling the steady states of linear multivariable systems is developed. The criterion consists of n(n-1) inequalities with the type numbers of the compensator transfer functions as the unknowns. These unknowns can be chosen to satisfy the inequalities and hence achieve a steady state decoupling scheme. It turns out that pure integrators in the loops play an important role. An extended root locus design method is then developed to take care of the stability and transient response. The overall procedure is applied to the compensation design for STOL C-8A aircraft in the approach mode.

Huang, J. Y.↗

Coherent optical noise suppression device

The present work describes a scheme for a noise suppression system to be used with an afocal coherent optical data processor. The noise averaging scheme is based on the simple principle of moving input and output film planes together during exposure; the noise pattern remains stationary while the desired (filtered) image moves through it. The noise suppression system consists of a drive motor, right-angle gear box, reversing gear assemblage, right-angle gear drive, and micrometer adjusting translation tables. The device was tested by using a Sayce target containing fundamental spatial frequencies from 5 lines/mm to 100 lines/mm as the input signal. The output was photographed on Pan-X 35-mm film with and without the noise suppression system in operation. Microdensitometer scans of the exposed output film show that without noise averaging, resolution is good to about 80 lines/mm, while with noise averaging, it is good to about 35 lines/mm. A brief analysis of errors in the mechanical parts of the system reponsible for the upper limit of resolution is presented.

Horner, J. L.↗

Comprehensive modeling of turbulent particulate flows using Eulerian and Lagrangian schemes

This paper addresses turbulent particle dispersion and modulation effects in dilute gas-particle turbulent flows using the Eulerian and Lagrangian modeling approaches. Gradient diffusion approximations are employed in the Eulerian formulation, while a stochastic procedure is utilized to simulate turbulent dispersion in the Lagrangian formulation. The k-epsilon turbulence model is used to characterize the time and length scales of the continuous phase turbulence. For the particle size and loading considered, the turbulence transport equations must be modified to account for the modulation effects. Models are proposed for both Eulerian and Lagrangian schemes. Comparisons and predictions are made in fully developed gas-solid pipe flow and confined coaxial jets laden with particles. For the monodispersed system investigated, Eulerian approach is less expensive and gives more consistent results than the Lagrangian approach. The Lagrangian technique should be further developed to eliminate current inherent inconsistencies especially with regard to the symmetry boundary condition.

Adeniji-Fashola, A.↗

Internal object loading for multiple cooperating robot manipulators

For an object being rigidly grasped and manipulated by multiple robotic mechanisms, the internal loading characteristics at a common coordinate set within the object are considered. It is demonstrated that representation of internal forces and moments in these common coordinates gives insight into force and load distribution schemes developed previously. In particular, it is shown how internal loads may be created in some end-effector force distribution schemes even when no component in the null-space of the grasp matrix is included. It is further shown that a particular pseudoinverse of the grasp matrix, which can be shown to be consistent with the kinematic constraints, may be used to eliminate this situation. The case of a two-arm system is used to illustrate the concepts introduced.

Walker, Ian D.↗

S-band multiple-access interference study for advanced tracking and data relay satellite systems

The results of a study on the effect of mutual interference among S-band multiple access (SMA) system users of advanced tracking and data relay satellite system (ATDRSS) are presented. In the ATDRSS era, the SMA system is required to support data rates ranging from 10 kb/s to 3 Mb/s. The system will consist of four advanced tracking and data relay satellites (ATDRS) each supporting up to five telemetry links. All users have 10 MHz bandwidth with their carrier frequency equal to 2.2875 GHz. A hybrid SDMA/CDMA scheme is used to mitigate the effect of the interference among system users. SMA system interference probability is evaluated with CLASS software. User link margin degradation due to mutual interference between two users is evaluated. System interference probability is evaluated for the projected 1996 mission model, a reference mission model, and a modified reference mission model.

Peng, Wei-Chung↗

ACTS for distance education in developing countries

The need for electrical energy supply in the rural communities of developing countries has been well documented. Equally well known is the potential for photovoltaic in cost effectively meeting this need. A major impediment to fulfilling the need is the lack of indigenous personnel with a knowledgeof photovoltaic systems, and the associated infrastructure required to implement project. Various delivery schemes for providing the needed training to developing countries personnel have been investigated. Various train methods and programs that have been employed to remedy the problem have had significant drawbacks in terms of cost, consistency, impact, reach, and sustainability. The hypothesis to be tested in this project posits that satellite-based distance education using ACTS technologies can overcome these impediments. The purpose of the project is to investigate the applicability of the ACTS satellite in providing distance education in photovoltaic systems to developing countries and rural communities. An evaluation of the cost effectiveness of using ACTS unique technologies to overcome identified problems shall be done. The limitations of ACTS in surmounting distance education problems in developing countries shall be investigated. This project will, furthermore, provide training to Savannah State College faculty in photovoltaic (PV) systems and in distance education configurations and models. It will also produce training materials adequate for use in PV training programs via distance education. Savannah State College will, as a consequence become well equipped to play a leading role in the training of minority populations in photovoltaic systems and other renewables through its Center for Advanced Water Technology and Energy Systems. This communication provides the project outline including the specific issues that will be investigated during the project. Also presented i the project design which covers the participations of the various components of a network of institutions that is formed for optimal project execution. The expected results and project output, including plans for potential leverages and linkages to be derived, are also discussed. Finally, we point out possible extensions from this project and other related projects that could be initiated based on the experiences gained from the project.

Kalu, A↗

Photoionization and Recombination

Theoretically self-consistent calculations for photoionization and (e + ion) recombination are described. The same eigenfunction expansion for the ion is employed in coupled channel calculations for both processes, thus ensuring consistency between cross sections and rates. The theoretical treatment of (e + ion) recombination subsumes both the non-resonant recombination ("radiative recombination"), and the resonant recombination ("di-electronic recombination") processes in a unified scheme. In addition to the total, unified recombination rates, level-specific recombination rates and photoionization cross sections are obtained for a large number of atomic levels. Both relativistic Breit-Pauli, and non-relativistic LS coupling, calculations are carried out in the close coupling approximation using the R-matrix method. Although the calculations are computationally intensive, they yield nearly all photoionization and recombination parameters needed for astrophysical photoionization models with higher precision than hitherto possible, estimated at about 10-20% from comparison with experimentally available data (including experimentally derived DR rates). Results are electronically available for over 40 atoms and ions. Photoionization and recombination of He-, and Li-like C and Fe are described for X-ray modeling. The unified method yields total and complete (e+ion) recombination rate coefficients, that can not otherwise be obtained theoretically or experimentally.

Nahar, Sultana N.↗

A Modeling and Verification Study of Summer Precipitation Systems Using NASA Surface Initialization Datasets

One of the most challenging weather forecast problems in the southeastern U.S. is daily summertime pulse-type convection. During the summer, atmospheric flow and forcing are generally weak in this region; thus, convection typically initiates in response to local forcing along sea/lake breezes, and other discontinuities often related to horizontal gradients in surface heating rates. Numerical simulations of pulse convection usually have low skill, even in local predictions at high resolution, due to the inherent chaotic nature of these precipitation systems. Forecast errors can arise from assumptions within parameterization schemes, model resolution limitations, and uncertainties in both the initial state of the atmosphere and land surface variables such as soil moisture and temperature. For this study, it is hypothesized that high-resolution, consistent representations of surface properties such as soil moisture, soil temperature, and sea surface temperature (SST) are necessary to better simulate the interactions between the surface and atmosphere, and ultimately improve predictions of summertime pulse convection. This paper describes a sensitivity experiment using the Weather Research and Forecasting (WRF) model. Interpolated land and ocean surface fields from a large-scale model are replaced with high-resolution datasets provided by unique NASA assets in an experimental simulation: the Land Information System (LIS) and Moderate Resolution Imaging Spectroradiometer (MODIS) SSTs. The LIS is run in an offline mode for several years at the same grid resolution as the WRF model to provide compatible land surface initial conditions in an equilibrium state. The MODIS SSTs provide detailed analyses of SSTs over the oceans and large lakes compared to current operational products. The WRF model runs initialized with the LIS+MODIS datasets result in a reduction in the overprediction of rainfall areas; however, the skill is almost equally as low in both experiments using traditional verification methodologies. Output from object-based verification within NCAR s Meteorological Evaluation Tools reveals that the WRF runs initialized with LIS+MODIS data consistently generated precipitation objects that better matched observed precipitation objects, especially at higher precipitation intensities. The LIS+MODIS runs produced on average a 4% increase in matched precipitation areas and a simultaneous 4% decrease in unmatched areas during three months of daily simulations.

Jonathan L. Case↗

Miniature Optical Communications Transceiver (MOCT)

This project will advance the technology readiness of the Miniature Optical Communications Transceiver (MOCT) from TRL 3 to TRL 4. MOCT consists of a novel software-defined pulse modulator (SDPM),integrated laser system, and avalanche photodetection system, and is designed for optical communications between small spacecraft, including CubeSats, using a pulse position modulation (PPM) scheme. PPM encodes data in the timing of optical pulses with respect to a set of timing windows known as slots. The MOCT design focuses on power-efficiency making it particularly interesting for small satellites. We have demonstrated in the laboratory that this technology can generate shorter than 1 nanosecond-wide 1550 nanometer (nm) optical pulses with better than 50 picosecond (ps) timing accuracy. The timing resolution of this system is roughly a factor of four better than previously flown systems, meaning that it can transmit more bits of data with each optical pulse. Because this technology can both generate and time stamp the arrival of short optical pulses with 50 ps precision, it simultaneously provides power efficient communications and relative ranging between small spacecraft at the centimeter (cm) level.

Small Spacecraft↗

Integrated Molten Salt Reactor Modeling Capabilities in NEAMS Thermal Hydraulics Tools

The DOE neams program supports a full range of computational thermal fluids analysis capabilities and code developments for a broad range of advanced reactor concepts. The research and development approach under the thermal fluids technical area synergistically combines three length and time scales in a hierarchical multi-scale approach. To enable multi-scale thermal fluids capability using these codes, a key joint effort has been underway to develop an integrated system- and engineering-scale thermal fluids analysis capability, through integration of SAM and Pronghorn codes, both based on the MOOSE framework. This report summarizes recent advances in developing an integrated system- and engineering-scale modeling capability for the msr concept, which has gained significant interest in recent years. A consistent framework was established by coupling Pronghorn and SAM through the Saline interface, with thermophysical properties provided by the Molten Salt Thermal Property Database (MSTDB-TP). Further improvements were made to the coupling schemes and domain-overlapping strategies, enhancing the stability and robustness of multi-code simulations. Verification and validation efforts demonstrate the accuracy of this integration across a range of benchmark problems, including one-dimensional heated pipe flows, three-dimensional natural convection loops with evolving isotopic compositions, and \gls{msre} demonstration cases. Within Pronghorn, new capabilities were introduced to model corrosion and noble-metal plating phenomena, supported by an extended thermal-hydraulics framework and refined turbulence treatments. To capture two-phase flow behavior, a multiphase Euler–Euler model was implemented in Pronghorn, including advanced closure relations, high-resolution advection techniques, and capillary force reconstruction. Preliminary verification cases confirm the fidelity of the approach, while planned validation efforts target canonical multiphase benchmarks and application to msr components such as the msre pump bowl. Finally, updates to SAM’s msr mass transfer modeling were extended to consider noble gas migration into porous structures like graphite. The point kinetics model was updated to include reactivity feedback contributions from any defined species, such as xenon. The gas transport model was expanded for applicability to gas mixtures, bubble efflux phenomena, and species transport between liquid and gas phases. A selection of multi-scale Sherwood number correlations from MOSCATO/NekRS and multi-phase correlations from literature have been added for improved accuracy in calculating mass transfer coefficients. A companion effort on developing system-level redox corrosion has also been incorporated into SAM. Collectively, these enhancements strengthen the predictive capability of SAM and Pronghorn for simulating MSR thermal-hydraulics, corrosion, multiphase behavior, and fission-product transport, providing a more complete toolset for design, safety analysis, and licensing support of next-generation \gls{msr}s.

42 - ENGINEERING↗

Experimental Investigation of Innovative Cooling Schemes on an Additively Manufactured Engine Scale Turbine Nozzle Guide Vane

This study includes the design, validation, and fabrication via direct metal laser sintering (DMLS) of a gas turbine nozzle guide vanes (NGV) that incorporates three innovative cooling schemes specifically enabled by additive manufacturing. The novel NGV design is the culmination of an extensive research and development effort over a period of 4 years that included low- and high-speed cascade testing coupled with unsteady computational fluid dynamics for numerous candidate innovative cooling architectures. The final vane design (SJ-vane) consists of sweeping jet (SJ) film cooling holes on the suction surface (SS), sweeping jet impingement holes at the leading edge and double-wall partial length triangular pin-fin with impinging jet at the trailing edge. For comparison purposes, a second DMLS enabled vane (777-vane) was designed and fabricated with prototypical cooling circuits to serve as a baseline. This vane consists of a shaped film cooling holes on the suction surface, circular impingement holes at the leading edge, and full-length cylindrical pin-fins at the trailing edge. Experiments with the two DMLS enabled vanes were performed at the Ohio State University Turbine Reacting Flow Rig (TuRFR) at engine-relevant temperature (1375 K) and Mach number conditions. Infrared (IR) thermography was utilized to measure the wall temperature of the pressure and suction surface at several coolant mass flowrates to estimate the overall cooling effectiveness (ϕ). Results showed improved cooling performance for the advanced cooling schemes (sweeping jet film cooling, impingement cooling, and triangular pin-fin cooling) compared with the baseline cooling schemes.

Engineering↗

An evaluation of size-resolved cloud microphysics scheme numerics for use with radar observations Part II: Condensation and evaporation

Accurate numerical modeling of clouds and precipitation is essential for weather forecasting and climate change research. While size-resolved (bin) cloud microphysics models predict particle size distributions without imposing shapes, results are subject to artificial size distribution broadening owing to numerical diffusion associated with various processes. Whereas Part I of this study addressed collision–coalescence, here we investigate numerical diffusion that occurs in solving condensation and evaporation. In a parcel model framework, all of the numerical schemes examined converge to one solution of condensation and evaporation as the mass grid is refined, and the advection-based schemes are recommended over the reassigning schemes. Including Eulerian vertical advection in a column limits the convergence to some extent, but that limitation occurs at a sufficiently fine mass grid, and the number of iterations in solving vertical advection should be minimized to reduce numerical diffusion. Insubstantial numerical diffusion in solving condensation can be amplified if collision–coalescence is also active, which in turn can be substantially diminished if turbulence effects on collision are incorporated. Here, large-eddy simulations of a drizzling stratocumulus field reveal that changes in moments of Doppler spectra obtained using different mass grids are consistent with those obtained from the simplified framework, and that spectral moments obtained using a mass grid designed to effectively reduce numerical diffusion are generally closer to observations. Notable differences between the simulations and observations still exist, and our results suggest a need to consider whether factors other than numerical diffusion in the fundamental process schemes employed can cause such differences.

54 ENVIRONMENTAL SCIENCES↗

An Evaluation of Size-Resolved Cloud Microphysics Scheme Numerics for use with Radar Observations Part II: Condensation and Evaporation

Accurate numerical modeling of clouds and precipitation is essential for weather forecasting and climate change research. While size-resolved (bin) cloud microphysics models predict particle size distributions without imposing shapes, results are subject to artificial size distribution broadening owing to numerical diffusion associated with various processes. Whereas Part 1 addressed collision-coalescence, here we investigate numerical diffusion that occurs in solving condensation and evaporation. In a parcel model framework, all of the numerical schemes examined converge to one solution of condensation and evaporation as the mass grid is refined, and the advection-based schemes are recommended over the reassigning schemes. Including Eulerian vertical advection in a column limits the convergence to some extent, but that limitation occurs at a sufficiently fine mass grid, and the number of iterations in solving vertical advection should be minimized to reduce numerical diffusion. Insubstantial numerical diffusion in solving condensation can be amplified if collision-coalescence is also active, which in turn can be substantially diminished if turbulence effects on collision are incorporated. Large-eddy simulations of a drizzling stratocumulus field reveal that changes in moments of Doppler spectra obtained using different mass grids are consistent with those obtained from the simplified framework, and that spectral moments obtained using a mass grid designed to effectively reduce numerical diffusion are generally closer to observations. Notable differences between the simulations and observations still exist, and our results suggest a need to consider whether factors other than numerical diffusion in the fundamental process schemes employed can cause such differences.

Cloud microphysics↗