Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “total variation”

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.

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

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The electronic structure, crystal fields, and magnetic anisotropy in RECo 5 magnets

The current progress in describing rare-earth-based magnets' electronic structure and magnetic properties is discussed. We use several currently popular electronic structure methods to show the typical values of critical parameters that define the physics of RECo 5 (RE = rare earth atom) materials. The magnetic moments and magnetic anisotropy of 4f atoms are obtained using several approaches, including anisotropic 4f-charge density-constrained DFT and DFT+HI methods. We also suggest the introduction of "penalty" functional for obtaining correct variational total energy in the traditional Hund's rule-constrained DFT-based techniques. The applicability and future extensions are discussed. The proposed combination of methods is potentially suitable for high-throughput computational searches of new rare-earth-containing magnetic materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Source function from two-particle correlation function through entropy-regularized Richardson-Lucy deblurring

Source functions are obtained from p – p and d – α correlation functions by applying the Richardson-Lucy (RL) deblurring to the Koonin-Pratt (KP) equation. To prevent fitting of noise in the correlation function, total-variation (TV) regularization is employed that has been effective in ordinary image restoration. TV alone cannot ensure normalization of the source functions. To ensure the latter, we propose a maximum-entropy regularized RL algorithm (MEM-RL). We outline the MEM-RL formalism and optimization strategy for the KP equation, demonstrating its effectiveness on both simulated and experimental data, including the p – p and d – α correlation functions.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Exponential time differencing scheme for mass transport and depletion in molten salt reactors

This work extends the capability previously shown for addressing the problem of computing depletion and mass transport calculations in molten salt reactors (MSRs) by calculating matrix exponentials. Additional algorithms are implemented to compute the matrix exponential and the action of the matrix exponential on a matrix. These algorithms include two methods based on the Pade approximation, a Taylor series method, and three methods based on Cauchy's integral formula. In addition to the added matrix exponential solvers, a variable-order total variation diminishing scheme is applied to the convective flux approximation to provide enhanced accuracy. Finally, a simplified MSR problem is shown for each of the exponential time differencing solvers along with classical backwards differencing integrators. The results show excellent convergence for exponential time differencing methods. Computation time is a key element for selecting the optimal solver in these problems, and this work shows that Pade and Cauchy-based solvers may provided the fastest and most accurate solutions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Control of multi-agent systems: Results, open problems, and applications

The purpose of this review article is to present some recent results on the modeling and control of large systems of agents. We focus on particular applications where the agents are capable of independent actions instead of simply reacting to external forces. In the literature, such agents were referred to as autonomous, intelligent, self-propelled, greedy, and others. The main applications we have in mind are social systems (as opinion dynamics), pedestrians’ movements (also called crowd dynamics), animal groups, and vehicular traffic. We note that the last three examples include physical constraints; however, the agents are able to inject energy into the system, thus preventing the typical conservation of momentum and energy. In addition, the control problems posed by such systems are new and require innovative methods. We illustrate some ideas developed recently, including the use of sparse controls, limiting the total variation of controls, and defining new control problems for measures. After reviewing various approaches, we discuss some future research directions of potential interest. The latter encompasses both new types of equations and new types of limiting procedures to connect several scales at which a system can be represented. We conclude by illustrating a recent real-life experiment using autonomous vehicles on an open highway to smooth traffic waves. This opens the door to a new era of interventions to control real-time multi-agent systems and to increase the societal impact of such interventions guided by control research.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A Block-Structured Adaptive Mesh Framework to Solve Radiation Transfer Equation in Irregular Embedded Geometries

Radiation transport arises in various scientific, industrial, and medical fields, and understanding its effect in applications is needed to make accurate predictions, safety assessments and performance optimizations. Solving the Radiation Transport Equation (RTE) is challenging due to its integro-differential nature, which involves both differential and integral terms. The differential term describes the change in radiation intensity due to absorption and emission, while the integral term accounts for scattering. The accurate modeling of radiation is further complicated in many applications due to the complex, irregular geometries. Various methods exist for solving the RTE, including the zonal, Monte Carlo, spherical harmonics, discrete ordinates, and finite volume methods. Traditional mesh-based approaches, which rely on structured or unstructured meshes, struggle with irregular geometries due to: a) the difficulty of conforming structured grids to irregular domains, b) challenges in enforcing boundary conditions correctly, and c) the additional computational cost of unstructured mesh methods. This work presents a second-order accurate method for solving the RTE in irregular geometries. The radiation intensity is discretized using the finite-volume method in both spatial and angular directions on regular Cartesian grid blocks. Leveraging the block-structured adaptive mesh refinement (AMR) framework provided by AMReX, our method refines the grid locally to reduce spatial discretization error, ensuring a converged numerical solution while minimizing computational costs elsewhere. A two-stage deferred correction approach is employed: First, a first-order discretization on grid blocks is solved using an algebraic multigrid method in HYPRE. Second, a correction term is applied explicitly to achieve second-order accuracy. The correction term is calculated by approximating the radiation flux on cell faces using a Total Variation Diminishing (TVD) scheme. This approach ensures quick convergence of the multigrid method while preserving higher-order accuracy of the numerical solution. Irregular geometries are resolved as embedded boundaries (EB), resulting in both cut cells and regular cells. In cut cells, we modify the fluxes using face fractions and incorporate additional contributions from EB boundary conditions. To ensure higher-order convergence near the EB interface, the correction term is modified by interpolating the radiation intensity to fictitious ghost points. The implementation takes advantage of modern supercomputers by leveraging AMReX’sMPI/X parallelization strategy where X can be MPI or a GPU accelerator including CUDA, HIP and DPC++. We validate our solver using classical test cases, both with and without EB, demonstrating accuracy and efficiency. Additionally, we analyze the impact of adaptive mesh refinement on solution accuracy and computational cost, highlighting the advantages of our approach for high-resolution radiation transport simulations.

computational fluid dynamics (CFD)↗
DOE OSTI2025

Image Reconstruction from Sparse-view Data Acquired with Portable X-ray Devices

• Portable X-ray systems enable on-site 3D imaging for non-invasive inspection of suspicious packages and explosives. • Existing reconstruction algorithms (e.g., FDK or Feldkamp, Davis and Kress) require hundreds of projections over 360 degrees. • Sparse-view scan reduces scanning time and setup effort, making it ideal for field use in timecritical scenarios. • Existing reconstruction algorithms introduce severe artifacts when applied to sparse-view data. • We developed a total variation (TV)-based optimization algorithm for yielding 3D images from sparse-view data collected with our portable X-ray imaging system.

Xia, Dan [University of Chicago, Chicago, IL]↗
DOE OSTI2023

Binary Control Pulse Optimization for Quantum Systems

Quantum control aims to manipulate quantum systems toward specific quantum states or desired operations. Designing highly accurate and effective control steps is vitally important to various quantum applications, including energy minimization and circuit compilation. In this paper we focus on discrete binary quantum control problems and apply different optimization algorithms and techniques to improve computational efficiency and solution quality. Specifically, we develop a generic model and extend it in several ways. We introduce a squared L 2 -penalty function to handle additional side constraints, to model requirements such as allowing at most one control to be active. We introduce a total variation (TV) regularizer to reduce the number of switches in the control. We modify the popular gradient ascent pulse engineering (GRAPE) algorithm, develop a new alternating direction method of multipliers (ADMM) algorithm to solve the continuous relaxation of the penalized model, and then apply rounding techniques to obtain binary control solutions. We propose a modified trust-region method to further improve the solutions. Our algorithms can obtain high-quality control results, as demonstrated by numerical studies on diverse quantum control examples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Seismic Monitoring at the Farnsworth CO2-EOR Field Using Time-Lapse Elastic-Waveform Inversion of 3D-3C VSP Data

During the Development Phase of the U.S. Southwest Regional Partnership on Carbon Sequestration, supercritical CO2 was continuously injected into the deep oil-bearing Morrow B formation of the Farnsworth Unit in Texas for Enhanced Oil Recovery (EOR). The project injected approximately 94 kilotons of CO2 to study geologic carbon storage during CO2-EOR. A three-dimensional (3D) surface seismic dataset was acquired in 2013 to characterize the subsurface structures of the Farnsworth site. Following this data acquisition, the baseline and three time-lapse three-dimensional three-component (3D-3C) vertical seismic profiling (VSP) data were acquired at a narrower surface area surrounding the CO2 injection and oil/gas production wells between 2014 and 2017 for monitoring CO2 injection and migration. With these VSP datasets, we inverted for subsurface velocity models to quantitatively monitor the CO2 plume within the Morrow B formation. We first built 1D initial P-wave (Vp) and S-wave (Vs) velocity models by upscaling the sonic logs. We improved the deep region of the Vp and Vs models by incorporating the deep part of a migration velocity model derived from the 3D surface seismic data. We improved the shallow region of 3D Vp and Vs models using 3D traveltime tomography of first arrivals of VSP downgoing waves. We further improved the 3D baseline velocity models using elastic-waveform inversion (EWI) of the 3D baseline VSP upgoing data. Our advanced EWI method employs alternative tomographic and conventional gradients and total-variation-based regularization to ensure the high-fidelity updates of the 3D baseline Vp and Vs models. We then sequentially applied our 3D EWI method to the three time-lapse datasets to invert for spatiotemporal changes of Vp and Vs in the reservoir. Our inversion results reveal the volumetric changes of the time-lapse Vp and Vs models and show the evolution of the CO2 plume from the CO2 injection well to the oil/gas production wells.

42 ENGINEERING↗
DOE OSTI2021

Stellar and Accretion Disk Parameters of the Close Binary HD 50526

We present a photometric and spectroscopic study of HD 50526, an ellipsoidal binary member of the group Double Periodic Variable stars. Performing data mining in photometric surveys and conducting new spectroscopic observations with several spectrographs during 2008–2015, we obtained orbital and stellar parameters of the system. The radial velocities were analyzed with the genetic PIKAIA algorithm, whereas Doppler tomography maps for the Hα and Hβ lines were constructed with the Total Variation Minimization code. An optimized simplex algorithm was used to solve the inverse problem adjusting the light curve with the best stellar parameters for the system. We find an orbital period of 6.ͩ701 ± 0.ͩ001 and a long photometric cycle of 191 ± 2 days. We detected the spectral features of the coldest star and modeled it with a logg=2.79±0.02 dex giant of mass 1.13 ± 0.02 M {sub ⊙} and effective temperature 10500 ± 125 K. In addition, we determine a mass ratio q = 0.206 ± 0.033 and that the hot star is a B-type dwarf of mass 5.48 ± 0.02 M {sub ⊙}. The V-band orbital light curve can be modeled including the presence of an accretion disk around the hotter star. This fills the Roche lobe of the hotter star and has a radius 14.74 ± 0.02 R {sub ⊙} and the temperature at the outer edge is 9400 K. Two bright spots located in the disk account for the global morphology of the light curve. The Doppler tomography maps of Hα and Hβ reveal complex structures of mass fluxes in the system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Uncertainty Quantification via Stable Distribution Propagation

We propose a new approach for propagating stable probability distributions through neural networks. Our method is based on local linearization, which we show to be an optimal approximation in terms of total variation distance for the ReLU non-linearity. This allows propagating Gaussian and Cauchy input uncertainties through neural networks to quantify their output uncertainties. To demonstrate the utility of propagating distributions, we apply the proposed method to predicting calibrated confidence intervals and selective prediction on out-of-distribution data. The results demonstrate a broad applicability of propagating distributions and show the advantages of our method over other approaches such as moment matching.

Artificial Intelligence (cs.AI)↗
DOE OSTI2026

Ginzburg--Landau functionals in the large-graph limit

Ginzburg–Landau (GL) functionals on graphs, which are relaxations of graph-cut functionals on graphs, have yielded a variety of insights in image segmentation and graph clustering. In this paper, we study large-graph limits of GL functionals by taking a functional-analytic view of graphs as nonlocal kernels. For a graph Wn with n nodes, the corresponding graph GL functional GL W n ϵ is an energy for functions on Wn. We minimize GL functionals on sequences of growing graphs that converge to functions called graphons. For such sequences of graphs, we show that the graph GL functional Γ-converges to a continuous and nonlocal functional that we call the graphon GL functional. We investigate the sharp-interface limits of the graph GL and graphon GL functionals, and we relate these limits to a nonlocal total-variation (TV) functional. We express the limiting GL functional in terms of Young measures and thereby obtain a probabilistic interpretation of the minimization problem in the large-graph limit. Finally, to develop intuition about graphon GL functionals, we determine the GL minimizer for several example families of graphons.

Zhang, Edith↗
DOE OSTI2022

Extending water vapor measurement capability of photon-limited differential absorption lidars through simultaneous denoising and inversion

Abstract. The micropulse differential absorption lidar (MPD) was developed at Montana State University (MSU) and the National Center for Atmospheric Research (NCAR) to perform range-resolved water vapor (WV) measurements using low-power lasers and photon-counting detectors. The MPD has proven to produce accurate WV measurements up to 6 km altitude. However, the MPD's ability to produce accurate higher-altitude WV measurements is impeded by the current standard differential absorption lidar (DIAL) retrieval methods. These methods are built upon a fundamental methodology that algebraically solves for the WV using the MPD forward models and noisy observations, which exacerbates any random noise in the lidar observations. The work in this paper introduces the adapted Poisson total variation (PTV) specifically for the MPD instrument. PTV was originally developed for a ground-based high spectral resolution lidar, and this paper reports on the adaptations that were required in order to apply PTV on MPD WV observations. The adapted PTV method, coined PTV-MPD, extends the maximum altitude of the MPD from 6 to 8 km and substantially increases the accuracy of the WV retrievals starting above 2 km. PTV-MPD achieves the improvement by simultaneously denoising the MPD noisy observations and inferring the WV by separating the random noise from the non-random WV. An analysis with 130 radiosonde (RS) comparisons shows that the relative root-mean-square difference (RRMSE) of WV measurements between RS and PTV-MPD exceeds 100 % between 6 and 8 km, whereas the RRMSE between RS and the standard method exceeds 100 % near 3 km. In addition, we show that by employing PTV-MPD, the MPD is able to extend its useful range of WV estimates beyond that of the ARM Southern Great Plains Raman lidar (RRMSE exceeding 100 % between 3 and 4 km); the Raman lidar has a power-aperture product 500 times greater than that of the MPD.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Bayesian Spatially Varying Multi-Regularization Image Deblurring

Many scientific experiments such as those found in astronomy, geology, microbiology, and X-ray radiography require the use of high-energy instruments to capture images. Since blur and noise are inevitably present in any imaging system, the images must be \deblurred" to extract the full information content. Mathematically, image deblurring is an ill-posed inverse problem that requires regularization. The regularization, in turn, has a large effect on the deblurred image: different regularization strengths, and types, lead to drastically different reconstructions. Moreover, many images contain a mixture of smooth and sharp features which suggests the use of multi-regularization, i.e., varying the type of regularization (e.g. Tikhonov or total variation) across the image. We address these issues by formulating the image deblurring problem within a hierarchical Bayesian framework in which we spatially adapt the strength of the regularization and also vary the regularization type across the image. In this way, the image itself, along with corresponding regularization strength at each pixel, are described jointly by a posterior distribution which we can sample by Markov chain Monte Carlo (MCMC) methods. We illustrate our techniques on simplified test problems and apply them to high-energy X-ray images taken at the Nevada National Security Site. Numerical tests show that our new method is robustly applicable and increases the quality of the image reconstruction when compared to other (Bayesian) methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Nondestructive Evaluation of Concrete: Elastic Property Imaging Through Full-Waveform Inversion

Concrete is a vital material in construction—especially in the nuclear industry, where it is used in critical structures such as containment vessels. Over time, concrete can degrade due to harsh operational and environmental conditions, necessitating that its elastic properties be accurately evaluated to ensure structural integrity and safety. Traditional nondestructive evaluation methods such as ultrasound-based techniques often rely on simplifying assumptions that may not hold true for concrete. This paper presents an advanced ultrasound-based method that uses elastic full-waveform inversion (EFWI) to create detailed images of concrete’s mechanical properties. By accurately modeling wave behaviors such as scattering and reflection, we aim to overcome the limitations of conventional ultrasonic-based methods. In this work, the imaging problem involved reconstructing the various elastic properties of a heterogenous concrete block with three steel rebars embedded in it. The ultrasonic measurements were synthetically generated from multiple sources and receivers, and the reconstruction process was performed using a gradient-based optimization algorithm. Our approach leveraged EFWI to reconstruct high-resolution images of the pressure wave speed, shear wave speed, and density. Multiple misfit functions—including L2-norm, cross-correlation (CC), and L1-norm—combined with total variation (TV) regularization and parameter constraints using a Sigmoid function—were explored for the reconstruction. The results demonstrated that using the L1-norm misfit function in conjunction with TV regularization and Sigmoid constraints significantly improved the reconstruction quality in comparison to traditional methods. This approach provided clearer images with fewer artifacts and better captured background heterogeneity. Our findings highlight that, when properly designed, EFWI carries great potential for providing comprehensive, more accurate, and more reliable assessments of concrete conditions, as is crucial for the maintenance and safety of nuclear power plant structures.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Machine learning-enabled phenotyping for GWAS and TWAS of WUE traits in 869 field-grown sorghum accessions

Abstract Sorghum (Sorghum bicolor) is a model C4 crop made experimentally tractable by extensive genomic and genetic resources. Biomass sorghum is studied as a feedstock for biofuel and forage. Mechanistic modeling suggests that reducing stomatal conductance (gs) could improve sorghum intrinsic water use efficiency (iWUE) and biomass production. Phenotyping to discover genotype-to-phenotype associations remains a bottleneck in understanding the mechanistic basis for natural variation in gs and iWUE. This study addressed multiple methodological limitations. Optical tomography and a machine learning tool were combined to measure stomatal density (SD). This was combined with rapid measurements of leaf photosynthetic gas exchange and specific leaf area (SLA). These traits were the subject of genome-wide association study and transcriptome-wide association study across 869 field-grown biomass sorghum accessions. The ratio of intracellular to ambient CO2 was genetically correlated with SD, SLA, gs, and biomass production. Plasticity in SD and SLA was interrelated with each other and with productivity across wet and dry growing seasons. Moderate-to-high heritability of traits studied across the large mapping population validated associations between DNA sequence variation or RNA transcript abundance and trait variation. A total of 394 unique genes underpinning variation in WUE-related traits are described with higher confidence because they were identified in multiple independent tests. This list was enriched in genes whose Arabidopsis (Arabidopsis thaliana) putative orthologs have functions related to stomatal or leaf development and leaf gas exchange, as well as genes with nonsynonymous/missense variants. These advances in methodology and knowledge will facilitate improving C4 crop WUE.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Facile alignment estimation in carbon nanotube films using image processing

Whether a macroscopic assembly of carbon nanotubes can exhibit the one-dimensional properties expected from individual nanotubes critically depends on how well the nanotubes are aligned inside the assembly. Therefore, a simple and accurate method for assessing the degree of alignment is desired for the rapid characterization of carbon nanotube films and fibers. Here, we present an end-to-end solution for determining the global and local spatial orientation of carbon nanotubes in films within a short amount of time using a fast, precise, and economical approach based on an image processing method applied to scanning electron microscopy images. Further, we first use Laplacian edge enhancement filtering for improving the appearance of edge regions, which is followed by image partitioning into multiple blocks to capture the nanoscale orientation characteristics and total variation-based image decomposition of these image blocks. We then perform a 2D-fast Fourier transform on the image decomposed textural components of these edge-enhanced image blocks to determine the orientation distribution, which is utilized to estimate the 2D nematic order parameter. To show the effectiveness of our method, we corroborated our results against results obtained with other state-of-the-art image processing and experimental techniques.

2D-FFT↗
DOE OSTI2021

Hotter droughts alter resource allocation to chemical defenses in piñon pine

Abstract Heat and drought affect plant chemical defenses and thereby plant susceptibility to pests and pathogens. Monoterpenes are of particular importance for conifers as they play critical roles in defense against bark beetles. To date, work seeking to understand the impacts of heat and drought on monoterpenes has primarily focused on young potted seedlings, leaving it unclear how older age classes that are more vulnerable to bark beetles might respond to stress. Furthermore, we lack a clear picture of what carbon resources might be prioritized to support monoterpene synthesis under drought stress. To address this, we measured needle and woody tissue monoterpene concentrations and physiological variables simultaneously from mature piñon pines ( Pinus edulis ) from a unique temperature and drought manipulation field experiment. While heat had no effect on total monoterpene concentrations, trees under combined heat and drought stress exhibited ~ 85% and 35% increases in needle and woody tissue, respectively, over multiple years. Plant physiological variables like maximum photosynthesis each explained less than 10% of the variation in total monoterpenes for both tissue types while starch and glucose + fructose measured 1-month prior explained ~ 45% and 60% of the variation in woody tissue total monoterpene concentrations. Although total monoterpenes increased under combined stress, some key monoterpenes with known roles in bark beetle ecology decreased. These shifts may make trees more favorable for bark beetle attack rather than well defended, which one might conclude if only considering total monoterpene concentrations. Our results point to cumulative and synergistic effects of heat and drought that may reprioritize carbon allocation of specific non-structural carbohydrates toward defense.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Thermal oxidation of nuclear graphite and pyrolytic carbon coatings

The oxidation of pyrolytic carbon (PyC) deposited via fluidized bed chemical vapor deposition was characterized and compared with that of standard nuclear-grade graphite. The materials were heated at 700 to 1000 °C in a thermogravimetric analysis system under 20% v/v O 2 flow, allowing for direct comparison of dynamic oxidative mass change in each material. Further, three different PyC samples fabricated under different conditions exhibited variation in total mass loss and mass loss rate, varying by as much as 709 mg/cm 2 in total mass loss and 14.2 (mg/cm 2 )/min in mass loss rate at a single temperature. These variations highlight the correlation between PyC microstructure/defect density and oxidation susceptibility. Additionally, changes in the microstructure and composition between PyC and graphite were characterized via scanning electron microscopy and correlated to the mass loss results. The results of this work have implications toward the safety of tristructural isotropic (TRISO) and other coated particle fuels, especially under off-normal conditions, given the limited information that exists about the oxidation behavior of PyC.

36 MATERIALS SCIENCE↗