SEARCH · Engineering Papers

Results for “Convergent”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 379 records · Page 21

All sources NASA NTRS DOE OSTI

DOE OSTI2019

Understanding the Role of Tropical Moisture in Atmospheric Rivers

There has been a long-standing debate about whether tropical moisture export (TME) or local moisture convergence play the dominant role in the development and strength of Atmospheric Rivers (ARs). In this work, we quantify the contribution of TME to 29 simulated extreme ARs that affected the U.S. Northwest Coast by “tagging” tropical moisture using water vapor tracers in the Weather Research and Forecast (WRF) model. From a case study with strong TME, we find three mechanisms by which TME can contribute to AR strength: direct contribution of moisture, indirect contributions via thermodynamic feedbacks and indirect contributions via synoptic-scale dynamic feedbacks. Focusing on these processes, we divide the 29 simulated ARs into two groups (>25% of TME contribution to inland precipitation as TME-ARs and <25% as NTME-ARs) and find that TME-ARs are characterized by stronger pre-cold-frontal low-level jets and stronger warm air advection. Notably, the ARs with the greatest 2-day precipitation are found to be TME-ARs but with <50% TME contributions, indicating a more dominant role of indirect enhancement of local moisture convergence due to TME than the direct moisture contribution supplying precipitation.

Hu, Huancui↗

DOE OSTI2023

Cross‐Equatorial Surges Boost MJO's Southward Detour Over the Maritime Continent

Abstract The influence of the cross‐equatorial northerly surge (CES) on the eastward propagation of Madden‐Julian oscillation (MJO) during boreal winter is evaluated through the analysis of the column integrated moisture budget. Results show that the CES reinforces MJO's southward detour by increasing horizontal moisture convergence over the southern Maritime Continent (MC) region. Further analysis reveals that the zonal convergence by intraseasonal zonal wind anomalies acting upon background moisture is intensified in the presence of CES events, causing a stronger convective activity in the southern MC (SMC). The stronger moisture convergence in the SMC is associated with the CES‐induced intensification of low‐level northwesterly and westerly winds, which, in turn, strengthen zonal wind convergences and positive wind‐evaporation feedbacks onto the MJO convection. An improved process understanding of the link between the CES and MJO detours can help engender improvements in extreme weather forecasts and aid investigation biases in simulating MJO in climate models.

58 GEOSCIENCES↗

DOE OSTI2023

Trends in Warm Season Mesoscale Convective Systems Over Asia in 2001–2020

Mesoscale convective systems (MCSs) frequently occur over Asia during the warm season, often producing intense precipitation with associated socioeconomic impacts. Here we reveal significant trends in MCS occurrence frequency and related precipitation in Asia during the warm season (March–September) in 2001–2020, using a tracking method that combines cloud and precipitation criteria with high-resolution satellite data from the Global Precipitation Measurement mission. To examine whether there are differences between MCSs of different scales, both meso-α scales (MαCSs) and meso-β scales (MβCSs), with horizontal scales of 200–2,000 km and 20–200 km, are tracked. The distribution pattern of frequency and related precipitation of both MαCSs and MβCSs are quite similar and manifest positive trends over East Asia (EA) and Northeast Asia, and negative trend over Southeast Asia (SEA). The MCS precipitation trend contributes significantly to total precipitation trend, with MαCSs contributing the most. Our analysis indicates the trend in lower-tropospheric water vapor flux convergence has a similar spatial pattern to the MCS frequency and related precipitation trend. Based on an atmospheric moisture flux decomposition analysis, the water vapor flux convergence trend can largely be explained by the change in horizontal wind convergence, while the specific humidity trend driven largely by temperature change plays a minor role. In conclusion, the trend in wind convergence in EA and SEA is possibly related to the evident trend in the lower-tropospheric anticyclone over the western North Pacific and SEA, which might be due to the relatively stronger warming in the Indian Ocean during the past two decades.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Contrasting Effects of Urban Land Cover Change and Anthropogenic Heat on Summer Precipitation Over the Yangtze River Delta of China: Analyses From an Atmospheric Moisture Budget Perspective

Both urban land cover (ULC) change and anthropogenic heat (AH) emission are important causes of urban heat island, but their relative contributions to the changes in urban precipitation and the related mechanism remain unclear. Based on numerical simulations utilizing the latest realistic urban fraction and AH data over the Yangtze River Delta urban agglomeration, we found that ULC and AH resulted in nearly opposite effects on precipitation. Various dynamical and thermodynamic processes were involved according to the atmospheric moisture budget analyses. AH increased precipitation particularly during afternoon, and the increases were stronger during heavy precipitation events because of the enhanced moisture convergence effect together with the release of moisture storage previously accumulated in the atmosphere. Differently, ULC reduced mean precipitation mainly due to suppressed evaporation. During weak precipitation events, the suppressed evaporation was largely balanced by the intensified moisture convergence, but during heavy events, ULC caused more pronounced precipitation reduction because the moisture convergence response disappeared and failed to offset the evaporation effect. Here, the relative contributions of different dynamical and thermodynamic processes such as those related to circulation, moisture gradient, and background moisture availability to the temporal variation in the total moisture convergence were further quantified. Overall, our results help better understand the relative roles of different aspects of urbanization on precipitation, and suggest that compared to ULC, reduction in AH emission that is tightly related to the energy consumption structure could be more efficient for mitigating the risk of extreme precipitation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

An improved guess for the variational calculation of charge-transfer excitations in large systems

Ab initio quantum-chemical methods that perform well for computing the electronic ground state are not straightforwardly transferable to electronically excited states, particularly in large molecular systems. Wave function theory offers high accuracy, but is often prohibitively expensive. Methods based on time-dependent density functional theory (TD-DFT) are crucially sensitive to the chosen exchange-correlation functional (XCF) parameterization, and system-specific tuning protocols were therefore proposed to address the method's robustness. Methods based on the variational relaxation of the excited-state electron density showcased promising results for the calculation of charge-transfer excitations, but the complex shape of the electronic hypersurface makes convergence to a specific excited state much more difficult than for the ground state when standard variational techniques are applied. We address the latter aspect by providing suitable initial guesses, which we obtain by two separate constrained algorithms. Combined with the squared-gradient minimization algorithm for all-electrons relaxation in a freeze-and-release scheme (FRZ-SGM), we demonstrate that orbital-optimized density functional theory (OO-DFT) calculations can reliably converge to the charge-transfer states of interest even for large molecular systems. We test the FRZ-SGM method on a phenothiazine-anthraquinone CT excitation in a supramolecular Pd(II) coordination cage complex as a function of the cage conformation. This compound has been studied experimentally prior to our work. We compare this freeze-and-release scheme to two XCF reparameterizations, which were recently proposed as low-cost TD-DFT-based alternatives to variational methods. Two dye-semiconductor complexes, which were previously investigated in the context of photovoltaic applications, serve as a second example to investigate the convergence and stability of the FRZ-SGM approach. Our results demonstrate that FRZ-SGM provides reliable convergence for charge-transfer excited states and avoids variational collapse to lower-lying electronic states, whereas time-dependent DFT calculations with an adequate tuning procedure for the range-separation parameter provide a computationally efficient initial estimate of the corresponding energies, with a computational cost comparable to that of configuration-interaction singles (CIS) calculations.

Bogo, Nicola↗

DOE OSTI2020

Hydro-scaling of direct-drive cylindrical implosions at the OMEGA and the National Ignition Facility

Deceleration-phase Rayleigh–Taylor instability (RTI) growth during inertial confinement fusion capsule implosions significantly affects the performance as it mixes cold ablator material into the fuel. Precise measurements of such instability growth are essential for both validating the existing simulation codes and improving our predictive capability. RTI measurements on the inner surface of a spherical shell are limited and are often inferred indirectly at limited convergence. In contrast, cylindrical implosions allow for direct diagnostic access to the converging interface by imaging down the cylinder axis while retaining the effects of convergence. We have performed direct-drive cylindrical implosion experiments at both the OMEGA and the NIF laser facilities using scaled targets. RTI growth is demonstrated to be scale-invariant between the cylindrical targets at OMEGA and similar targets at the NIF, which are scaled up by a factor of three in the radial dimension. Single-mode (m = 0) instability growth factors of ~14 are measured at a convergence ratio (CR) ~ 2.5 with nearly identical mode growth at both scales. The measurements are in agreement with xRAGE radiation-hydrodynamics simulations. In addition, we have developed the Bayesian-inference-engine method to account for the variations in the target alignment, magnification, and the parallax effect in the measurement, allowing a more precise comparison between the experimental data and the simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Accurate Compression of Tabulated Chemistry Models with Partition of Unity Networks

Tabulated chemistry models are widely used to simulate large-scale turbulent fires in applications including energy generation and fire safety. Tabulation via piecewise Cartesian interpolation suffers from the curse-of-dimensionality, leading to a prohibitive exponential growth in parameters and memory usage as more dimensions are considered. Artificial neural networks (ANNs) have attracted attention for constructing surrogates for chemistry models due to their ability to perform high-dimensional approximation. However, due to well-known pathologies regarding the realization of suboptimal local minima during training, in practice they do not converge and provide unreliable accuracy. Partition of unity networks (POUnets) are a recently introduced family of ANNs which preserve notions of convergence while performing high-dimensional approximation, discovering a mesh-free partition of space which may be used to perform optimal polynomial approximation. In this work, we assess their performance with respect to accuracy and model complexity in reconstructing unstructured flamelet data representative of nonadiabatic pool fire models. Our results show that POUnets can provide the desirable accuracy of classical spline-based interpolants with the low memory footprint of traditional ANNs while converging faster to significantly lower errors than ANNs. For example, we observe POUnets obtaining target accuracies in two dimensions with 40 to 50 times less memory and roughly double the compression in three dimensions. We also address the practical matter of efficiently training accurate POUnets by studying convergence over key hyperparameters, the impact of partition/basis formulation, and the sensitivity to initialization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Self-similarity of k -nearest neighbour distributions in scale-free simulations

ABSTRACT We use the k-nearest neighbour probability distribution function (kNN-PDF; Banerjee & Abel 2021a) to assess convergence in a scale-free N-body simulation. Compared to our previous two-point analysis, the kNN-PDF allows us to quantify our results in the language of haloes and numbers of particles, while also incorporating non-Gaussian information. We find good convergence for 32 particles and greater at densities typical of haloes, while 16 particles and fewer appear unconverged. Halving the softening length extends convergence to higher densities, but not to fewer particles. Our analysis is less sensitive to voids, but we analyse a limited range of underdensities and find evidence for convergence at 16 particles and greater even in sparse voids.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Accuracy of power spectra in dissipationless cosmological simulations

Abstract We exploit a suite of large N-body simulations (up to N = 40963) performed with abacus, of scale-free models with a range of spectral indices n, to better understand and quantify convergence of the matter power spectrum. Using self-similarity to identify converged regions, we show that the maximal wavenumber resolved at a given level of accuracy increases monotonically as a function of time. At 1 per cent level it starts at early times from a fraction of $k_\Lambda$, the Nyquist wavenumber of the initial grid, and reaches at most, if the force softening is sufficiently small, ${\sim}2{-}3 k_\Lambda$ at the very latest times we evolve to. At the $5{{\ \rm per\ cent}}$ level, accuracy extends up to wavenumbers of order $5k_\Lambda$ at late times. Expressed as a suitable function of the scale-factor, accuracy shows a very simple n-dependence, allowing a extrapolation to place conservative bounds on the accuracy of N-body simulations of non-scale-free models like LCDM. We note that deviations due to discretization in the converged range are not well modelled by shot noise, and subtracting it in fact degrades accuracy. Quantitatively our findings are broadly in line with the conservative assumptions about resolution adopted by recent studies using large cosmological simulations (e.g. Euclid Flagship) aiming to constrain the mildly non-linear regime. On the other hand, we remark that conclusions about small-scale clustering (e.g. concerning the validity of stable clustering) obtained using PS data at wavenumbers larger than a few $k_\Lambda$ may need revision in light of our convergence analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Strategies for solving the excited-state self-consistent-field problem for highly excited and multiply ionized states

The dynamics of molecules exposed to intense x-ray radiation involve a large number of multiply ionized and highly excited electronic configurations. To model these dynamics a reliable and efficient electronic structure model is imperative. Employing the Hartree-Fock-Slater electronic structure model in combination with the maximum overlap method, we quantify the associated convergence failures when calculating electronic states of carbon monoxide with multiple vacancies in the core and valence levels. Here, we characterize these cases and describe strategies to overcome the convergence problems. The described techniques not only eliminate all convergence issues for CO but also result in a significant reduction of convergence failures for simulations of the x-ray-induced multiple ionization dynamics of the phenol molecule.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

Robust ab initio prediction of nuclear electric quadrupole observables by scaling to the charge radius

Meaningful predictions for electric quadrupole (E2) observables from ab initio nuclear theory are necessary, if the ab initio description of collective correlations is to be confronted with experiment, as well as to provide predictive power for unknown E2 observables. However, converged results for E2 observables are notoriously challenging to obtain in ab initio no-core configuration interaction (NCCI) approaches. Matrix elements of the E2 operator are sensitive to the large-distance tails of the nuclear wave function, which converge slowly in an oscillator basis expansion. Similar convergence challenges beset ab initio prediction of the nuclear charge radius. We demonstrate that the convergence patterns of the E2 and radius observables are strongly correlated, and that meaningful predictions for the absolute scale of E2 observables may be made by calibrating to the experimentally-known ground-state charge radius. Here, we illustrate by providing robust ab initio predictions for several E2 transition strengths and quadrupole moments in p-shell nuclei, in cases where experimental results are available for comparison.

6 ≤ A ≤ 19↗

DOE OSTI2023

A fast two-stage algorithm for non-negative matrix factorization in smoothly varying data

This article reports the study of algorithms for non-negative matrix factorization (NMF) in various applications involving smoothly varying data such as time or temperature series diffraction data on a dense grid of points. Utilizing the continual nature of the data, a fast two-stage algorithm is developed for highly efficient and accurate NMF. In the first stage, an alternating non-negative least-squares framework is used in combination with the active set method with a warm-start strategy for the solution of subproblems. In the second stage, an interior point method is adopted to accelerate the local convergence. The convergence of the proposed algorithm is proved. The new algorithm is compared with some existing algorithms in benchmark tests using both real-world data and synthetic data. Furthermore, the results demonstrate the advantage of the algorithm in finding high-precision solutions.

interior point method↗

DOE OSTI2025

A Polar Scaling Technique for the Regularization of Strongly Singular and Strongly Near-Singular Helmholtz Surface Integrals Evaluated Over 2-D Domains

The numerical integration of expressions containing strong singularities or strong near-singularities has long been a challenging problem in the electromagnetics community. Much attention has been paid to this problem, as strong $1/R^{{2}}$ singularities routinely appear when implementing electromagnetic simulation techniques like the method of moments (MoM). To date, several techniques, from singularity extraction to singularity cancellation (SC), have been employed to deal with problems that require the evaluation of 2-D strongly singular integrals. However, no single technique has been proposed that can deal with both strong singularities and strong near-singularities in a fully numerical manner for arbitrary 2-D domains. Moreover, it has been claimed that the Helmholtz-type strongly singular integral found in the MoM is convergent in a principal value sense, but this convergence value has yet to be proven mathematically. In this work, we will conduct the convergence proof and introduce a “polar scaling” change of variables method that may be used to evaluate Helmholtz integrals with both strong and weak singularities/near-singularities. The technique is fully numerical and can in principle be applied to any planar or curved polygon and any nonsingular basis function. We will also provide numerical results showing useful convergence behavior for integrals involving both exact and near-singularities.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

KKT Preconditioners for PDE-Constrained Optimization with the Helmholtz Equation

This paper considers preconditioners for the linear systems that arise from optimal control and inverse problems involving the Helmholtz equation. Specifically, we explore an all-at-once approach. The main contribution centers on the analysis of two block preconditioners. Variations of these preconditioners have been proposed and analyzed in prior works for optimal control problems where the underlying partial differential equation is a Laplace-like operator. In this paper, we extend some of the prior convergence results to Helmholtz-based optimization applications. Our analysis examines situations where control variables and observations are restricted to subregions of the computational domain. We prove that solver convergence rates do not deteriorate as the mesh is refined or as the wavenumber increases. More specifically, for one of the preconditioners we prove accelerated convergence as the wavenumber increases. Additionally, in situations where the control and observation subregions are disjoint, we observe that solver convergence rates have a weak dependence on the regularization parameter. We give a partial analysis of this behavior. We illustrate the performance of the preconditioners on control problems motivated by acoustic testing.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Multi-body entanglement and information rearrangement in nuclear many-body systems: a study of the Lipkin–Meshkov–Glick model

Here, we examine how effective-model-space (EMS) calculations of nuclear many-body systems rearrange and converge multi-particle entanglement. The generalized Lipkin-Meshkov-Glick (LMG) model is used to motivate and provide insight for future developments of entanglement-driven descriptions of nuclei. The effective approach is based on a truncation of the Hilbert space together with a variational rotation of the qubits (spins), which constitute the relevant elementary degrees of freedom. The non-commutivity of the rotation and truncation allows for an exponential improvement of the energy convergence throughout much of the model space. Our analysis examines measures of correlations and entanglement, and quantifies their convergence with increasing cut-off. We focus on one- and two-spin entanglement entropies, mutual information, and $n$-tangles for $n=2,4$ to estimate multi-body entanglement. The effective description strongly suppresses entropies and mutual information of the rotated spins, while being able to recover the exact results to a large extent with low cut-offs. Naive truncations of the bare Hamiltonian, on the other hand, artificially underestimate these measures. The $n$-tangles in the present model provide a basis-independent measures of $n$-particle entanglement. While these are more difficult to capture with the EMS description, the improvement in convergence, compared to truncations of the bare Hamiltonian, is significantly more dramatic. We conclude that the low-energy EMS techniques, that successfully provide predictive capabilities for low-lying observables in many-body systems, exhibit analogous efficacy for quantum correlations and multi-body entanglement in the LMG model, motivating future studies in nuclear many-body systems and effective field theories relevant to high-energy physics and nuclear physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Fast Response of East Asian Precipitation in June 2020 to Local and Remote Aerosol Emission Reductions during COVID-19

Here, in this study, the fast response of East Asian summer precipitation to COVID-19–induced aerosol emission reductions is examined using the Community Earth System Model, version 2.2 (CESM2.2). The emission reductions decreased aerosol optical depth and cloud cover over northern China in June 2020. The troposphere became warmer, strengthening the land–sea thermal contrast and anomalous southerly winds. The subtropical westerly jet accelerated and shifted southward, favoring low-level convergence, upward air motions, and subsequent condensational heating over the Yangtze River basin (YRB). The feedback of condensational heating in return strengthened the convergence and ascent. The western North Pacific subtropical high was intensified, which further enhanced the moisture advection and convergence over the YRB. Both the enhanced moisture convergence and ascent increased precipitation over the YRB during June 2020. Furthermore, local and remote emission reductions show different impacts on convection and moisture transport over the YRB. The emission reductions over China caused stronger convective precipitation (1.15 vs 0.63 mm day −1 ) but weaker larger-scale precipitation (1.17 vs 2.24 mm day −1 ) than the emission reductions outside China. In addition to the emission reductions, the sea surface temperature (SST) anomalies in 2020 also play an important role in increasing precipitation over the YRB, contributing about 42.8%. The relative contribution of SST anomalies also increases under the COVID-19–induced emission scenario.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Inferring the Contribution of Microbial Taxa and Organic Matter Molecular Formulas to Ecological Assembly

Understanding the mechanisms underlying the assembly of communities has long been the goal of many ecological studies. While several studies have evaluated community wide ecological assembly, fewer have focused on investigating the impacts of individual members within a community or assemblage on ecological assembly. Here, we adapted a previous null model β-nearest taxon index (βNTI) to measure the contribution of individual features within an ecological community to overall assembly. This new metric, called feature-level βNTI (βNTI feat ), enables researchers to determine whether ecological features (e.g., individual microbial taxa) contribute to divergence, convergence, or have insignificant impacts across spatiotemporally resolved metacommunities or meta-assemblages. Using βNTI feat , we revealed that unclassified microbial lineages often contributed to community divergence while diverse groups (e.g., Crenarchaeota, Alphaproteobacteria, and Gammaproteobacteria) contributed to convergence. We also demonstrate that βNTI feat can be extended to other ecological assemblages such as organic molecules comprising organic matter (OM) pools. OM had more inconsistent trends compared to the microbial community though CHO-containing molecular formulas often contributed to convergence, while nitrogen and phosphorus-containing formulas contributed to both convergence and divergence. A network analysis was used to relate βNTI feat values from the putatively active microbial community and the OM assemblage and examine potentially common contributions to ecological assembly across different communities/assemblages. This analysis revealed that P-containing formulas often contributed to convergence/divergence separately from other ecological features and N-containing formulas often contributed to assembly in coordination with microorganisms. Additionally, members of Family Geobacteraceae were often observed to contribute to convergence/divergence in conjunction with both N- and P-containing formulas, suggesting a coordinated ecological role for family members and the nitrogen/phosphorus cycle. Overall, we show that βNTI feat offers opportunities to investigate the community or assemblage members, which shape the phylogenetic or functional landscape, and demonstrate the potential to evaluate potential points of coordination across various community types.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

The Santa Barbara Binary-disk Code Comparison

We have performed numerical calculations of a binary interacting with a gas disk, using 11 different numerical methods and a standard binary-disk setup. The goal of this study is to determine whether all codes agree on a numerically converged solution and to determine the necessary resolution for convergence and the number of binary orbits that must be computed to reach an agreed-upon relaxed state of the binary-disk system. We find that all codes can agree on a converged solution (depending on the diagnostic being measured). The zone spacing required for most codes to reach a converged measurement of the torques applied to the binary by the disk is roughly 1% of the binary separation in the vicinity of the binary components. For our disk model to reach a relaxed state, codes must be run for at least 200 binary orbits, corresponding to about a viscous time for our parameters, 0.2(a 2 Ω B /v) is the kinematic viscosity. The largest discrepancies between codes resulted from the dimensionality of the setup (3D vs. 2D disks). We find good agreement in the total torque on the binary between codes, although the partition of this torque between the gravitational torque, orbital accretion torque, and spin accretion torque depends sensitively on the sink prescriptions employed. In agreement with previous studies, we find a modest difference in torques and accretion variability between 2D and 3D disk models. We find cavity precession rates to be appreciably faster in 3D than in 2D.

79 ASTRONOMY AND ASTROPHYSICS↗