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All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

An Ocean-Atmosphere Simulation for Studying Air-Sea Interactions

During the past few years the Goddard Earth Observing System (GEOS) and Massachusetts Institute of Technology (MIT) modeling groups have produced, respectively, global atmosphere-only and ocean-only simulations with km-scale grid spacing. These simulations have proved invaluable for process studies and for the development of satellite and in-situ sampling strategies. Nevertheless, a key limitation of these "nature" simulations is the lack of interaction between the ocean and the atmosphere, which limits their usefulness for studying air-sea interactions and for designing observing missions to study these interactions. To remove this limitation, we aim to perform a coupled simulation using the km-scale GEOS atmosphere and the km-scale MIT ocean models. The initial attempt at the km-scale coupled simulation resulted in computational issues which will be presented here. As a preliminary step towards the km-scale objective, we present results from a high resolution but not yet km-scale simulation, wherein we have coupled a cubed-sphere-720 (~ 1/8) configuration of the GEOS atmosphere to a lat-lon-cap-1080 (~ 1/12) configuration of the MIT ocean. We compare near-surface diagnostics of this fully coupled ocean-atmosphere set-up to equivalent atmosphere-only and ocean-only simulations. A particular focus of the comparisons is the differences in interactions between Sea Surface Temperature (SST) and ocean surface wind for the coupled and uncoupled simulations. We discuss observed and modeled high temporal variability (~days) SST-wind cycle and how it is represented in the different systems. A mechanism for the cycle, which is driven by SST-wind feedback, is proposed.

Strobach, Ehud↗
NASA NTRS2005

A Coupled fcGCM-GCE Modeling System: A 3D Cloud Resolving Model and a Regional Scale Model

Recent GEWEX Cloud System Study (GCSS) model comparison projects have indicated that cloud-resolving models (CRMs) agree with observations better than traditional single-column models in simulating various types of clouds and cloud systems from different geographic locations. Current and future NASA satellite programs can provide cloud, precipitation, aerosol and other data at very fine spatial and temporal scales. It requires a coupled global circulation model (GCM) and cloud-scale model (termed a super-parameterization or multi-scale modeling framework, MMF) to use these satellite data to improve the understanding of the physical processes that are responsible for the variation in global and regional climate and hydrological systems. The use of a GCM will enable global coverage, and the use of a CRM will allow for better and ore sophisticated physical parameterization. NASA satellite and field campaign cloud related datasets can provide initial conditions as well as validation for both the MMF and CRMs. The Goddard MMF is based on the 2D Goddard Cumulus Ensemble (GCE) model and the Goddard finite volume general circulation model (fvGCM), and it has started production runs with two years results (1998 and 1999). Also, at Goddard, we have implemented several Goddard microphysical schemes (21CE, several 31CE), Goddard radiation (including explicity calculated cloud optical properties), and Goddard Land Information (LIS, that includes the CLM and NOAH land surface models) into a next generation regional scale model, WRF. In this talk, I will present: (1) A Brief review on GCE model and its applications on precipitation processes (microphysical and land processes), (2) The Goddard MMF and the major difference between two existing MMFs (CSU MMF and Goddard MMF), and preliminary results (the comparison with traditional GCMs), (3) A discussion on the Goddard WRF version (its developments and applications), and (4) The characteristics of the four-dimensional cloud data sets (or cloud library) stored at Goddard.

Tao, Wei-Kuo↗
NASA NTRS2002

Self-Consistent Magnetosphere-Ionosphere Coupling and Associated Plasma Energization Processes

Magnetosphere-Ionosphere (MI) coupling and associated with this process electron and ion energization processes have interested scientists for decades and, in spite of experimental and theoretical research efforts, are still ones of the least well known dynamic processes in space plasma physics. The reason for this is that the numerous physical processes associated with MI coupling occur over multiple spatial lengths and temporal scales. One typical example of MI coupling is large scale ring current (RC) electrodynamic coupling that includes calculation of the magnetospheric electric field that is consistent with the ring current (RC) distribution. A general scheme for numerical simulation of such large-scale magnetosphere-ionosphere coupling processes has been presented earlier in many works. The mathematical formulation of these models are based on "modified frozen-in flux theorem" for an ensemble of adiabatically drifting particles in the magnetosphere. By tracking the flow of particles through the inner magnetosphere, the bounce-averaged phase space density of the hot ions and electrons can be reconstructed and the magnetospheric electric field can be calculated such that it is consistent with the particle distribution in the magnetosphere. The new a self-consistent ring current model has been developed that couples electron and ion magnetospheric dynamics with calculation of electric field. Two new features were taken into account in addition to the RC ions, we solve an electron kinetic equation in our model, self-consistently including these results in the solution. Second, using different analytical relationships, we calculate the height integrated ionospheric conductances as the function of precipitated high energy magnetospheric electrons and ions as produced by our model. This results in fundamental changes to the electric potential pattern in the inner magnetosphere, with a smaller Alfven boundary than previous potential formulations would predict but one consistent with recent satellite observations. This leads to deeper penetration of the plasma sheet ions and electrons into the inner magnetosphere and more effective ring current ions and electron energization.

Khazanov, G. V.↗
DOE OSTI2022

A Realistic Full-Scale 3D Modeling of Turning Using Coupled Smoothed Particle Hydrodynamics and Finite Element Method for Predicting Cutting Forces

Computational modelling is an effective technique for understanding the complex physics of machining. Large deformations, material separation, and high computational requirements are the key challenges faced while simulating machining. This work introduces a full-scale three-dimensional model of turning operations using a combined approach based on the Smoothed Particle Hydrodynamics (SPH) and Finite Element (FE) methods. By exploiting the advantages of each method, this approach leads to high-fidelity coupled SPH-FE machining models. Cutting forces and chip morphology are the primary results of interest. The machining models are validated with the results of turning experiments. Two-dimensional machining model underpredicts the cutting force and feed force by approximately 49% and 70%, respectively. Moreover, passive force cannot be predicted using the two-dimensional model. On the other hand, with the three-dimensional models developed in this manuscript, the difference between the total simulated force and experimentally measured force is ∼17%. The chip morphologies correlate with experiments in terms of the direction of the chip movement and the “long” continuous chips observed while turning Al 6061. This work expands the realm of machining simulations from two-dimensional orthogonal machining or sectional three-dimensional model to a full-scale realistic simulation. The encouraging simulation results show the potential to study more complex phenomena, such as machining stability and tool path modulation.

42 ENGINEERING↗
DOE OSTI2025

Numerical simulation of coupled THM behaviour of full-scale EBS in backfilled experimental gallery in the Horonobe URL

Bentonite-based engineered barrier system (EBS) is a key component of many repository designs for the geological disposal of high-level radioactive waste. Given the complexity and interaction of the phenomena affecting the barrier system, coupled thermo-hydro-mechanical (THM) numerical analyses are a potentially useful tool for a better understanding of their behaviour. In this context, a Task (the Horonobe EBS experiment) was undertaken to study, using numerical analyses, the thermo-hydro-mechanical (and thermo-hydro) interactions in bentonite based engineered barriers within the international cooperative project DECOVALEX 2023. One full-scale in-situ experiment and four laboratory experiments, largely complementary, were selected for modelling. The Horonobe EBS experiment is a temperature-controlled non-isothermal experiment combined with artificial groundwater injection. The Horonobe EBS experiment consists of the heating and cooling phases. Six research teams performed the THM or TH (depended on research team approach) numerical analyses using a variety of computer codes, formulations and constitutive laws. Finally, for each experiment, the basic features of the analyses are described and the comparison between calculations and laboratory experiments and field observations are presented and discussed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Renormalization scale setting for heavy quark pair production in $e^+e^–$ annihilation near the threshold region

Heavy fermion pair production in e + e – annihilation is a fundamental process in hadron physics and is of considerable interest for various phenomena. In this paper, we will apply the principle of maximum conformality (PMC) to provide a comprehensive analysis of these processes. The PMC provides a systematic, unambiguous method for determining the renormalization scales of the QCD coupling constant for single-scale and multiple-scale applications. The resulting predictions eliminate any renormalization scheme-and-scale ambiguities, eliminate the factorial renormalon divergences, and are consistent with the requirements of the renormalization group. It is remarkable that two distinctly different scales are determined by using the PMC for heavy fermion pair production near the threshold region. One scale is the order of the fermion mass m f , which enters the hard virtual corrections, and the other scale is of order v m f , where v is the quark velocity, which enters the Coulomb rescattering amplitude. The PMC scales yield the correct physical behavior and reflect the virtuality of the propagating gluons (photons) for the QCD (QED) processes. Moreover, we demonstrate the consistency of PMC scale setting from QCD to QED. Perfect agreement between the Abelian unambiguous Gell-Mann-Low and the PMC scale-setting methods in the limit of zero number of colors is demonstrated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1995

The coupling of fluids, dynamics, and controls on advanced architecture computers

This grant provided for the demonstration of coupled controls, body dynamics, and fluids computations in a workstation cluster environment; and an investigation of the impact of peer-peer communication on flow solver performance and robustness. The findings of these investigations were documented in the conference articles.The attached publication, 'Towards Distributed Fluids/Controls Simulations', documents the solution and scaling of the coupled Navier-Stokes, Euler rigid-body dynamics, and state feedback control equations for a two-dimensional canard-wing. The poor scaling shown was due to serialized grid connectivity computation and Ethernet bandwidth limits. The scaling of a peer-to-peer communication flow code on an IBM SP-2 was also shown. The scaling of the code on the switched fabric-linked nodes was good, with a 2.4 percent loss due to communication of intergrid boundary point information. The code performance on 30 worker nodes was 1.7 (mu)s/point/iteration, or a factor of three over a Cray C-90 head. The attached paper, 'Nonlinear Fluid Computations in a Distributed Environment', documents the effect of several computational rate enhancing methods on convergence. For the cases shown, the highest throughput was achieved using boundary updates at each step, with the manager process performing communication tasks only. Constrained domain decomposition of the implicit fluid equations did not degrade the convergence rate or final solution. The scaling of a coupled body/fluid dynamics problem on an Ethernet-linked cluster was also shown.

Atwood, Christopher↗
DOE OSTI2022

The Strange Case of Ground-Coupled Airwaves on Seismoacoustic Stations at Local to Near-Regional Scales

Here we investigate the application of ground-coupled airwaves observed by seismoacoustic stations at local to near-regional scales to detect signals of interest and determine back-azimuth information. Ground-coupled airwaves are created from incident pressure waves traveling through the atmosphere that couple to the earth and transmit as a seismic wave with retrograde elliptical motion. Previous studies at sub-local scales (<10 km from a source of interest) found the back-azimuth to the source could be accurately determined from seismoacoustic signals recorded by acoustic and 3-component seismic sensors spatially separated on the order of 10 to 150 m. The potential back-azimuth directions are estimated from the coherent signals between the acoustic and vertical seismic data, via a propagation-induced phase shift of the seismoacoustic signal. A unique solution is then informed by the particle motion of the 3-component seismic station, which was previously found to be less accurate than the seismoacoustic-sensor method. We investigate the applicability of this technique to greater source-receiver distances, from 50-100 km and up to 400 km, which contains pressure waves with tropospheric and stratospheric ray paths, respectively. Specifically, we analyze seismoacoustic sources with ground truth from rocket motor fuel elimination events at the Utah Test and Training Range (UTTR) as well as a 2020 rocket launch in Southern California. From these sources we observe evidence that while coherent signals can be seen from both sources on multiple seismoacoustic station pairs, the determined ground-coupled airwave back-azimuths are more complicated than results at more local scales. Our findings suggest more complex factors including incidence angle, coupling location, subsurface material, and atmospheric propagation effects need to be fully investigated before the ground-coupled airwave back-azimuth determination method can be applied or assessed at these further distances.

58 GEOSCIENCES↗
NASA NTRS1991

Ion injection simulations of quasi-parallel shock re-formation

One-dimensional hybrid simulations are used to investigate the process of quasi-parallel shock reformation and to examine the coupling of a beam of ions reflected at the shock to the incoming solar wind. A simple simulation configuration is constructed that makes it possible to control the properties of the background plasma and of the reflected ions. The length and time scales for the coupling of the reflected ions to the background plasma are investigated as functions of the upstream magnetic field direction, beam density, and beam temperature. The coupling length and time scales are found to vary systematically with the upstream magnetic field direction. The coupling occurs at roughly the time and location where the injected ions become deflected transverse to the shock normal direction.

Onsager, T. G.↗
DOE OSTI2025

Linear-scaling quadruple excitations in local pair natural orbital coupled-cluster theory

Here, we present a fast, asymptotically linear-scaling implementation of the perturbative quadruples energy correction in coupled-cluster theory using local natural orbitals. Our work follows the domain-based local pair natural orbital (DLPNO) approach previously applied to lower levels of excitations in coupled-cluster theory. Our DLPNO-CCSDT(Q) algorithm uses converged doubles and triples amplitudes from a preceding DLPNO-CCSDT computation to compute the quadruples amplitude and energy in the quadruples natural orbital (QNO) basis. We demonstrate the compactness of the QNO space, showing that more than 95% of the (Q) correction can be recovered using relatively loose natural orbital cutoffs, compared to the tighter cutoffs used in pair and triples natural orbitals at lower levels of coupled-cluster theory. We also highlight the accuracy of our algorithm in the computation of relative energies, which yields deviations of sub-kJ mol −1 in relative energy compared to the canonical CCSDT(Q). Timings are conducted on a series of growing linear alkanes (up to 10 carbons and 608 basis functions) and water clusters (up to 49 water molecules and 2842 basis functions) to establish the asymptotic linear-scaling of our DLPNO-(Q) algorithm.

Auxiliary functions↗
NASA NTRS1999

An Assessment of the Impact of the 1997-98 El Nino on the Asian-Australian Monsoon

Using state-of-the-art satellite-gauge monthly rainfall estimate and optimally interpolated sea surface temperature (SST) data, we have assessed the 1997-98 AA-monsoon anomalies in terms of three basic causal factors: basin-scale SST, regional coupling, and internal variability. Singular Value Decomposition analyses of rainfall and SST are carried out globally over the entire tropics and regionally over the AA-monsoon domain. Contributions to monsoon rainfall predictability by various factors are evaluated from cumulative anomaly correlation with dominant regional SVD modes. Results reveal a dominant, large-scale monsoon-El Nino coupled mode with well-defined centers of action in the near-equatorial monsoon regions during the boreal summer and winter respectively. The observed 1997-98 AA-monsoon anomalies are found to be very complex with approximately 34% of the anomalies of the Asian (boreal) summer monsoon and 74% of the Australia (austral) monsoon attributable to basin-scale SST influence associated with El Nino. Regional coupled processes contribute an additional 19% and 10%, leaving about 47% and 16% due to internal dynamics for the boreal and austral monsoon respectively. For the boreal summer monsoon, it is noted that the highest monsoon predictability is not necessary associated with major El Nino events (e.g. 1997, 1982) but rather in non-El Nino years (e.g. 1980, 1988) when contributions from the regional coupled modes far exceed those from the basin-scale SST. The results suggest that in order to improve monsoon seasonal-to-interannual predictability, there is a need to exploit not only monsoon-El Nino relationship, but also intrinsic monsoon regional coupled processes.

Lau, K.-M.↗
NASA NTRS1999

Assessment of the 1997-1998 Asian Monsoon Anomalies

Using State-of-the-art satellite-gauge monthly rainfall estimate and optimally interpolated sea surface temperature (SST) data, we have assessed the 1997-98 Asian monsoon anomalies in terms of three basic causal factors: basin-scale SST, regional coupling, and internal variability. Singular Value Decomposition analysis of rainfall and SST are carried out globally over the entire tropics and regionally over the Asian monsoon domain. Contributions to monsoon rainfall predictability by various factors are evaluated from cumulative anomaly correlation with dominant regional SVD modes. Results reveal a dominant, large-scale monsoon-El Nino coupled mode with well-defined centers of action in the near-equatorial monsoon regions. it is noted that some subcontinental regions such as all-India, or arbitrarily chosen land regions over East Asia, while important socio-economically, are not near the centers of influence from El Nino, hence are not necessarily representative of the response of the entire monsoon region to El Nino. The observed 1997-98 Asian monsoon anomalies are found to be very complex with approximately 34% of the anomalies attributable to basin- scale SST influence associated with El Nino. Regional coupled processes contribute an additional 19%, leaving about 47% due to internal dynamics. Also noted is that the highest monsoon predictability is not necessary associated with major El Nino events (e.g. 1997, 1982) but rather in non-El Nino years (e.g. 1980, 1988) when contributions from the regional coupled modes far exceed those from the basin-scale SST. The results suggest that in order to improve monsoon seasonal-to-interannual predictability, there is a need to exploit not only monsoon-El Nino relationship, but also monsoon regional coupled processes and their modulation by long-term climate change.

Lau, William K.-M.↗
DOE OSTI2024

More Heavy Precipitation in World Urban Regions Captured Through a Two‐Way Subgrid Land‐Atmosphere Coupling Framework in the NCAR CESM2

Abstract Current global climate models (GCMs), limited to grid‐scale land‐atmosphere coupling, cannot represent subgrid urban‐rural precipitation contrasts. This study develops an innovative two‐way subgrid land‐atmosphere coupling framework in the National Center for Atmospheric Research (NCAR) Community Earth System Model version 2 (CESM2) to explicitly resolve land‐atmosphere interaction over subgrid individual land units. Results show that urban heat island (UHI) leads to the urban rainfall effect (URE), which in turn alleviates overestimated UHI over China in CESM2. The URE manifests as a shift toward more heavy precipitation and less light precipitation in world urban areas than in surrounding rural counterparts. This feature is consistent with available observations. In heavy precipitation situations, the UHI promotes atmospheric instability and enhances atmospheric water vapor holding capacity, resulting in more heavy precipitation in urban areas. Conversely, in light precipitation situations, the UHI and decreased evaporation from urban impermeable surfaces diminish atmospheric relative humidity, suppressing light precipitation.

Geology↗
DOE OSTI2020

The Multi-Scale Infrastructure for Chemistry and Aerosols (MUSICA)

To explore the various couplings across space, time and between ecosystems in a consistent manner, atmospheric modeling is moving away from the fractured limited-scale modeling strategy of the past towards a unification of the range of scales inherent in the Earth System. This paper describes the forward-looking MUlti-Scale Infrastructure for Chemistry and Aerosols (MUSICA), which is intended to become the next generation community infrastructure for research involving atmospheric chemistry and aerosols. MUSICA will be developed collaboratively by the National Center for Atmospheric Research (NCAR) and university and government researchers, with the goal of serving the international research and applications communities. The capability of unifying various spatio-temporal scales, coupling to other Earth System components and process-level modularization will allow advances in both fundamental and applied research in atmospheric composition, air quality and climate and is also envisioned to become a platform that addresses the needs of policy makers and stakeholders.

Pfister, Gabriele G.↗
DOE OSTI2024

Unraveling Interdiffusion Phenomena and the Role of Nanoscale Diffusion Barriers in the Copper–Gold System

Diffusion is one of the most fundamental concepts in materials science, playing a pivotal role in materials synthesis, forming, and degradation. Of particular importance is solid state interdiffusion of metals which defines the usable parameter space for material combinations in the form of alloys. This parameter space can be explored on the macroscopic scale by using diffusion couples. However, this method reaches its limit when going to low temperatures, small scales, and when testing ultrathin diffusion barriers. Therefore, this work transfers the principle of the diffusion couples to small scales by using core–shell nanowires and in situ heating. This allows us to delve into the interdiffusion dynamics of copper and gold, revealing the interplay between diffusion and the disorder–order phase transition. Our in situ TEM experiments in combination with chemical mapping reveal the interdiffusion coefficients of Cu and Au at low temperatures and highlight the impact of ordering processes on the diffusion behavior. The formation of ordered domains within the solid-solution is examined using high-resolution imaging and nanodiffraction including strain mapping. In addition, we examine the effectiveness of ultrathin Al 2 O 3 barrier layers to control interdiffusion of the diffusion couple. Our findings indicate that a 5 nm thick layer serves as an efficient diffusion barrier. Furthermore, this research provides valuable insights into the interdiffusion behavior of Cu and Au on the nanoscale, offering potential applications in the development of miniaturized integrated circuits and nanodevices.

alloys↗
NASA NTRS1987

Experimental Evaluation of Turning Vane Designs for High-speed and Coupled Fan-drive Corners of 0.1-scale Model of NASA Lewis Research Center's Proposed Altitude Wind Tunnel

Two turning vane designs were experimentally evaluated for the fan-drive corner (corner 2) coupled to an upstream diffuser and the high-speed corner (corner 1) of the 0.1 scale model of NASA Lewis Research Center's proposed Altitude Wind Tunnel. For corner 2 both a controlled-diffusion vane design (vane A4) and a circular-arc vane design (vane B) were studied. The corner 2 total pressure loss coefficient was about 0.12 with either vane design. This was about 25 percent less loss than when corner 2 was tested alone. Although the vane A4 design has the advantage of 20 percent fewer vanes than the vane B design, its vane shape is more complex. The effects of simulated inlet flow distortion on the overall losses for corner 1 or 2 were small.

Gelder, Thomas F.↗