Results for “Diffusion models” — Page 12

DOE OSTI2025

Towards universal unfolding of detector effects in high-energy physics using denoising diffusion probabilistic models

Correcting for detector effects in experimental data, particularly through unfolding, is critical for enabling precision measurements in high-energy physics. However, traditional unfolding methods face challenges in scalability, flexibility, and dependence on simulations. We introduce a novel approach to multidimensional object-wise unfolding using conditional Denoising Diffusion Probabilistic Models (cDDPM). Our method utilizes the cDDPM for a non-iterative, flexible posterior sampling approach, incorporating distribution moments as conditioning information, which exhibits a strong inductive bias that allows it to generalize to unseen physics processes without explicitly assuming the underlying distribution. Our results highlight the potential of this method as a step towards a "universal" unfolding tool that reduces dependence on truth-level assumptions, while enabling the unfolding of a wide range of measured distributions with improved adaptability and accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1986

On the modeling of low-Reynolds-number turbulence

A full Reynolds-stress closure that is capable of describing the flow all the way to the wall was formulated for turbulent flow through circular pipe. Since viscosity does not appear explicitly in the pressure redistribution terms, conventional high-number models for these terms are found to be applicable. However, the models for turbulent diffusion and viscous dissipation have to be modified to account for viscous diffusion near a wall. Two redistribution and two diffusion models are investigated for their effects on the model calculations. Wall correction to pressure redistribution modeling is also examined. Diffusion effects on calculated turbulent properties are further investigated by simplifying the transport equations to algebraic equations for Reynolds stress. Two approximations are explored. These are the equilibrium and nonequilibrium turbulence assumptions. Finally, the two-equation closure is also used to calculate the flow in question and the results compared with all the other model calculations. Fully developed pipe flows at two moderate Reynolds numbers are used to validate these model calculations.

So, R. M. C.↗

DOE OSTI2023

Diffusion–convection model of runaway electrons due to large magnetohydrodynamic perturbations in post-thermal quench plasmas

Systematic test particle tracing simulations for runaway electrons (REs) are performed for six post-thermal quench equilibria from DIII-D and ITER, where large scale, kink-like n = 1 (n is the toroidal mode number) magnetohydrodynamic (MHD) instabilities are found. The modeled particle guiding center orbits allow extraction of the effective diffusion–convection coefficients of REs in the presence of large three-dimensional (3D) perturbations up to 10% of the equilibrium toroidal field. With a fixed spatial distribution of the field perturbation, the RE transport coefficients along the plasma radial coordinate track reasonably well with the surface-averaged perturbation level. A substantial variation in the value of the transport coefficients—by three orders of magnitude in most cases, however, occurs with varying launching location of REs along the plasma radius. Large 3D perturbations almost always lead to comparable diffusion and convection processes, meaning that diffusion alone is insufficient to describe the particle motion. At lower (but still high) level of perturbation, the RE convection is found to be dominant over diffusion. A similar observation is made when the perturbation is too strong. In the presence of large perturbation, the dependence of the RE transport on the particle energy is sensitive to the spatial distribution of the perturbation. Based on numerically obtained RE transport coefficients, an analytic fitting model is proposed to quantify the particle diffusion and convection processes due to large MHD events in post-thermal quench plasmas. The model is shown to reasonably well reproduce the direct test particle tracing results for the RE loss fraction and can, thus, be useful for incorporating into other kinetic RE codes in order to simulate the RE beam evolution in the presence of large 3D perturbations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Cross-Modal Guidance for Fast Diffusion-Based Computed Tomography

Diffusion models have emerged as powerful priors for solving inverse problems in computed tomography (CT). In certain applications, such as neutron CT, it can be expensive to collect large amounts of measurements even for a single scan leading to sparse data sets from which it is challenging to obtain high quality reconstructions even with diffusion models. One strategy to mitigate this challenge is to leverage a complementary, easily available imaging modality; however, such approaches typically require retraining the diffusion model with large datasets. In this work, we propose incorporating an additional modality without retraining the diffusion prior, enabling accelerated imaging of costly modalities. We further examine the impact of imperfect side modalities on cross-modal guidance. Our method is evaluated on sparse-view neutron computed tomography, where reconstruction quality is substantially improved by incorporating X-ray computed tomography of the same samples.

Efimov, Timofey [ORNL] (ORCID:000900090098471X)↗

NASA NTRS1985

Diurnal anisotropy during solar activity cycle twenty and diffusion-convection model

Underground muon telescope data obtained at Embudo and Neutron monitor data obtained at Deep River are divided into two sets; one covers the ascending phase of the cycle (1965-70) and the other covers the descending phase (1971-76). The amplitude of diurnal anisotropy calculated from the data does not agree with the value predicted by the simplified version of the Diffusion-Convection Model (DCM); the discrepancy is worse for neutron data.

Ahluwalia, H. S.↗

DOE OSTI2021

Modeling Lithium Diffusion in Battery Cathodes Considering Chemo-Mechanically Induced Damage

This talk will present a 3D, continuum-level damage model for simulating Lithium diffusion within generated Li_{x}Ni_{0.5}Mn_{0.3}Co_{0.2} (NMC 532) secondary cathode particles. The primary motivation of the particle-level model is to inform cathode-particle design and determine charging profiles that reduce cathode fracture. The model considers NMC 532 secondary particles containing an agglomeration of anisotropic, randomly oriented grains. The model predicts that secondary-particle fracture is primarily due to non-ideal grain interactions with slight dependence on high-rate charge demands. The model predicts that small secondary-particles with large grains develop significantly less damage than larger secondary particles with small grains. Finally, the model predicts most of the chemo-mechanical damage accumulates in the first high-rate cycles. This chemo-mechanical “damage saturation” effect indicates that initial secondary-particle fracture occurs within the first few cycles, while long-term cathode degradation is not solely chemo-mechanically induced.

47 OTHER INSTRUMENTATION↗

NASA NTRS1987

A survey of the cosmic ray diurnal variation during 1973-1979. I - Persistence of solar diurnal variation. II - Application of diffusion-convection model to diurnal anisotropy data

An analysis of data obtained with the vertical underground muon telescope at Embudo, NM shows that the solar diurnal variation in cosmic ray intensity is a persistent phenomenon over the 1973-1979 period. Assuming that the daily fluctuations in the amplitude and phase of the diurnal variation are random perturbations about the mean vector, the relative magnitude of the random component is determined. In the second part, the Diffusion-Convection model of cosmic ray transport is applied to high rigidity particles detected at the earth in order to deduce the behavior of the heliospheric transport parameters between 1973 and 1979. It is suggested that the diurnal variation observed at Embudo during 1979 may require a contribution from the charged particle drifts.

Riker, J. F.↗

NASA NTRSDate not supplied

Comparisons of Mixing Efficiency for the Strut Fuel Injector Obtained from Large-Eddy and Reynolds-Averaged Simulations, and Experiments

Mixing efficiency is obtained for a strut fuel injector at hypervelocity flow conditions by using large-eddy simulations (LES), Reynolds-averaged simulations (RAS), and experiments. The injector and flow conditions have been previously investigated by using RAS and experiments as a part of the Enhanced Injection and Mixing Project (EIMP) at the NASA Langley Research Center (LaRC). Because the fidelity of LES is a strong function of the grid, the mixing efficiency is obtained on two grids, the coarser of which is a factor of two coarser in each of the three dimensions with respect to the fine grid. The RAS uses the two-equation linear eddy viscosity and diffusivity modeling of Menter. In RAS, the species diffusivity model exhibits a strong dependence on the turbulent Schmidt number, which is often adjusted until some metric of engineering interest, such as the mixing efficiency, matches the experimental data. In the absence of experimental data, scale-resolving simulations, such as LES, have been proposed as surrogates for experiments that could provide the data needed to “calibrate” the turbulent Schmidt number in the RAS models. This approach is followed because LES requires significantly more computational resources (CPU, data storage, and time) than RAS, making it prohibitive for use in many engineering applications and specifically for parameter exploration or optimization. Here we examine the mixing efficiency obtained from several RAS with different values of the turbulent Schmidt number, and compare the results with those obtained from the LES and experiments. In addition, the least squares fitting approach was used to demonstrate how to obtain an estimate for the turbulent Schmidt number from LES analytically. These estimates were then used together with prior knowledge about RAS model sensitivity to select a turbulence model that was expected to best match the LES data.

LES↗

NASA NTRSDate not supplied

Comparisons of Mixing Efficiency for the Strut Fuel Injector Obtained from Large-Eddy and Reynolds-Averaged Simulations, and Experiments

Mixing efficiency is obtained for a strut fuel injector at hypervelocity flow conditions by using large-eddy simulations (LES), Reynolds-averaged simulations (RAS), and experiments. The injector and flow conditions have been previously investigated by using RAS and experiments as a part of the Enhanced Injection and Mixing Project (EIMP) at the NASA Langley Research Center (LaRC). Because the fidelity of LES is a strong function of the grid, the mixing efficiency is obtained on two grids, the coarser of which is a factor of two coarser in each of the three dimensions with respect to the fine grid. The RAS uses the two-equation linear eddy viscosity and diffusivity modeling of Menter. In RAS, the species diffusivity model exhibits a strong dependence on the turbulent Schmidt number, which is often adjusted until some metric of engineering interest, such as the mixing efficiency, matches the experimental data. In the absence of experimental data, scale-resolving simulations, such as LES, have been proposed as surrogates for experiments that could provide the data needed to “calibrate” the turbulent Schmidt number in the RAS models. This approach is followed because LES requires significantly more computational resources (CPU, data storage, and time) than RAS, making it prohibitive for use in many engineering applications and specifically for parameter exploration or optimization. Here we examine the mixing efficiency obtained from several RAS with different values of the turbulent Schmidt number, and compare the results with those obtained from the LES and experiments. In addition, the least squares fitting approach was used to demonstrate how to obtain an estimate for the turbulent Schmidt number from LES analytically. These estimates were then used together with prior knowledge about RAS model sensitivity to select a turbulence model that was expected to best match the LES data.

LES↗

NASA NTRS1988

A model of diffuse radar scattering from Martian surface rocks

Two physically plausible surface rock-orientation models are presently used to characterize the depolarized component of diffuse radar energy scattering on Mars, and plots of scattering cross-section are derived as a function of Doppler shift. The spectral shapes thus modeled exhibit similarities to observed spectra; their magnitudes are generally within a factor of about 2 of measured values. While surface inhomogeneities could account for the degree of discrepancy, subsurface element scattering may also be implicated.

Calvin, Wendy M.↗

DOE OSTI2024

Effectiveness of denoising diffusion probabilistic models for fast and high-fidelity whole-event simulation in high-energy heavy-ion experiments

Artificial intelligence (AI) generative models, such as generative adversarial networks (GANs), variational autoencoders, and normalizing flows, have been widely used and studied as efficient alternatives for traditional scientific simulations. However, they have several drawbacks, including training instability and inability to cover the entire data distribution, especially for regions where data are rare. This is particularly challenging for whole-event, full-detector simulations in high-energy heavy-ion experiments, such as sPHENIX at the Relativistic Heavy Ion Collider and Large Hadron Collider experiments, where thousands of particles are produced per event and interact with the detector. This work investigates the effectiveness of denoising diffusion probabilistic models (DDPMs) as an AI-based generative surrogate model for the sPHENIX experiment that includes the heavy-ion event generation and response of the entire calorimeter stack. DDPM performance in sPHENIX simulation data is compared with a popular rival, GANs. Results show that both DDPMs and GANs can reproduce the data distribution where the examples are abundant (low-to-medium calorimeter energies). Nonetheless, DDPMs significantly outperform GANs, especially in high-energy regions where data are rare. Additionally, DDPMs exhibit superior stability compared to GANs. The results are consistent between both central and peripheral centrality heavy-ion collision events. Moreover, DDPMs offer a substantial speedup of approximately a factor of 100 compared to the traditional Geant4 simulation method.

42 ENGINEERING↗

NASA NTRS1982

Effects of free stream turbulence intensity and integral length scale on heat transfer from a circular cylinder in crossflow

A model has been proposed for the momentum eddy diffusivity induced by free stream turbulence intensity and integral length scale. The eddy diffusivity model is applied to a cylinder situated in a uniform crossflow in the presence of free stream turbulence. Numerical solution of the governing momentum and energy equations with the proposed eddy diffusivity model yielded results for the skin friction coefficient and the Nusselt number. The numerical predictions of the present work are compared with experimental data and the agreement between the two is seen to be very good.

Gorla, R. S. R.↗

NASA NTRS1982

Stagnation point heat transfer augmentation due to free stream turbulence

A model has been proposed for the momentum eddy diffusivity induced by free stream turbulence intensity and integral length scale. The eddy diffusivity model is applied to the stagnation point of a cylinder situated in a uniform crossflow in the presence of free stream turbulence. A numerical solution of the governing momentum and energy equations with the proposed eddy diffusivity model yielded results for the skin friction coefficient and the Nusselt number. The numerical predictions of the present work are compared with experimental data and the agreement between the two is seen to be very good.

Gorla, R. S. R.↗

DOE OSTI2025

A Diffuse-Interface Model for Predicting the Evolution of Metallic Negative Electrodes and Interfacial Voids in Solid-State Batteries with Homogeneous and Polycrystalline Solid Electrolyte Separators

Here, this paper presents a novel diffuse-interface electrochemical model that simultaneously simulates the evolution of the metallic negative electrode and interfacial voids during the stripping and plating processes in solid-state batteries. The utility and validity of this model are demonstrated for the first time on a cell with a sodium (Na) negative electrode and a Na-β″-alumina ceramic solid electrolyte (SE) separator. Three examples are simulated. First, stripping and plating with a perfect electrode/electrolyte interface; second, stripping and plating with a single interfacial void at the electrode/electrolyte interface; third, stripping with multiple interfacial voids. Both homogeneous and polycrystalline SEs with low and high-conductivity grain boundaries (GBs) are considered for all three examples. Heterogeneous GB conductivity marginally impacts the thickness of the Na electrode in cases with a perfect electrode/electrolyte interface. Moreover, it results in local changes to void growth due to the interactions between the void edge and the GBs. The void growth rate is a linear function of the flux of Na atoms at the void edge, which in turn depends on the applied current density. We also show that the void coalescence rate increases with applied current density and can be marginally influenced by GB conductivity.

batteries↗

NASA NTRS1997

Bulk Growth of Wide Band Gap II-VI Compound Semiconductors by Physical Vapor Transport

The mechanism of physical vapor transport of II-VI semiconducting compounds was studied both theoretically, using a one-dimensional diffusion model, as well as experimentally. It was found that the vapor phase stoichiometry is critical in determining the vapor transport rate. The experimental heat treatment methods to control the vapor composition over the starting materials were investigated and the effectiveness of the heat treatments was confirmed by partial pressure measurements using an optical absorption technique. The effect of residual (foreign) gas on the transport rate was also studies theoretically by the diffusion model and confirmed experimentally by the measurements of total pressure and compositions of the residual gas. An in-situ dynamic technique for the transport rate measurements and a further extension of the technique that simultaneously measured the partial pressures and transport rates were performed and, for the first time, the experimentally determined mass fluxes were compared with those calculated, without any adjustable parameters, from the diffusion model. Using the information obtained from the experimental transport rate measurements as guideline high quality bulk crystal of wide band gap II-VI semiconductor were grown from the source materials which undergone the same heat treatment methods. The grown crystals were then extensively characterized with emphasis on the analysis of the crystalline structural defects.

Su, Ching-Hua↗

NASA NTRS1997

Bulk Growth of Wide Band Gap II-VI Compound Semiconductors by Physical Vapor Transport

The mechanism of physical vapor transport of II-VI semiconducting compounds was studied both theoretically, using a one-dimensional diffusion model, as well as experimentally. It was found that the vapor phase stoichiometry is critical in determining the vapor transport rate. The experimental heat treatment methods to control the vapor composition over the starting materials were investigated and the effectiveness of the heat treatments was confirmed by partial pressure measurements using an optical absorption technique. The effect of residual (foreign) gas on the transport rate was also studies theoretically by the diffusion model and confirmed experimentally by the measurements of total pressure and compositions of the residual gas. An in-situ dynamic technique for the transport rate measurements and a further extension of the technique that simultaneously measured the partial pressures and transport rates were performed and, for the first time, the experimentally determined mass fluxes were compared with those calculated, without any adjustable parameters, from the diffusion model. Using the information obtained from the experimental transport rate measurements as guideline high quality bulk crystal of wide band gap II-VI semiconductor were grown from the source materials which undergone the same heat treatment methods. The grown crystals were then extensively characterized with emphasis on the analysis of the crystalline structural defects.

Su, Ching-Hua↗

DOE OSTI2023

A diffusion–deformation model with damage for polymer undergoing rapid decompression failure

Green hydrogen is emerging as one of the most promising alternatives to replace fossil fuels. While hydrogen gas has a good energy density by weight, its poor energy density by volume requires it to be stored under high pressure for commercial use. The hydrogen infrastructure developed to handle this high pressure hydrogen contains multiple components made of polymers as sealing agents. Although polymers do not react chemically with hydrogen gas, they undergo a mechanical failure when high pressure hydrogen gas is suddenly depressurized. This phenomenon known as 'rapid decompression failure' occurs due to the diffusion of hydrogen through polymer and getting trapped inside pre-existing cavities or voids. Here, in this paper, a continuum mechanics-based coupled diffusion-deformation-damage model was developed to predict the hydrogen distribution, stress distribution, and damage propagation inside the polymer while it undergoes rapid decompression failure. The polymer was modeled as a hyperelastic material because it represents the nonlinear material response observed in uniaxial tensile tests perfectly. The effects of hydrogen diffusivity, pre-existing cavity size, cavity location, applied hydrogen pressure, and depressurization rate on damage initiation were studied. It was found that the coefficient of diffusion plays an important role in damage initiation and damage was mostly concentrated in the inside areas rather than near the surface. Experiments were conducted with EPDM polymer which agreed well with the predicted trends using the given model. The effect of adding carbon black and silica filler particles and plasticizer to the pure EPDM polymer was also studied. It was found that damage during RDF decreases with the addition of fillers, but increases with the addition of the plasticizer. Finally, the damage evolution in the presence of two cavities was also studied, and was found that the interaction of stress fields around the cavities alters the damage occurring during RDF.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Permeation of CO 2 and N 2 through glassy poly(dimethyl phenylene) oxide under steady- and presteady-state conditions

Glassy polymers are often used for gas separations because of their high selectivity. Although the dual-mode permeation model correctly fits their sorption and permeation isotherms, its physical interpretation is disputed, and it does not describe permeation far from steady state, a condition expected when separations involve intermittent renewable energy sources. To develop a more comprehensive permeation model, we combine experiment, molecular dynamics, and multiscale reaction–diffusion modeling to characterize the time-dependent permeation of N 2 and CO 2 through a glassy poly(dimethyl phenylene oxide) membrane, a model system. Simulations of experimental time-dependent permeation data for both gases in the presteady-state and steady-state regimes show that both single- and dual-mode reaction–diffusion models reproduce the experimental observations, and that sorbed gas concentrations lag the external pressure rise. The results point to environment-sensitive diffusion coefficients as a vital characteristic of transport in glassy polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗