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At least 1,081 records · Page 60

Joint state-parameter estimation for the reduced fracture model via the united filter

Here, in this paper, we introduce an effective United Filter method for jointly estimating the solution state and physical parameters in flow and transport problems within fractured porous media. Fluid flow and transport in fractured porous media are critical in subsurface hydrology, geophysics, and reservoir geomechanics. Reduced fracture models, which represent fractures as lower-dimensional interfaces, enable efficient multi-scale simulations. However, reduced fracture models also face accuracy challenges due to modeling errors and uncertainties in physical parameters such as permeability and fracture geometry. To address these challenges, we propose a United Filter method, which integrates the Ensemble Score Filter (EnSF) for state estimation with the Direct Filter for parameter estimation. EnSF, based on a score-based diffusion model framework, produces ensemble representations of the state distribution without deep learning. Meanwhile, the Direct Filter, a recursive Bayesian inference method, estimates parameters directly from state observations. The United Filter combines these methods iteratively: EnSF estimates are used to refine parameter values, which are then fed back to improve state estimation. Numerical experiments demonstrate that the United Filter method surpasses the state-of-the-art Augmented Ensemble Kalman Filter, delivering more accurate state and parameter estimation for reduced fracture models. This framework also provides a robust and efficient solution for PDE-constrained inverse problems with uncertainties and sparse observations.

Bayesian inference↗

Potential Link Between 2020 Mentone, West Texas M5 Earthquake and Nearby Wastewater Injection: Implications for Aquifer Mechanical Properties

Abstract The M5 Mentone earthquake that occurred on March 26, 2020, was the largest event recorded over the last 2 decades in West Texas within the Delaware Basin, a U.S. major petroleum‐producing area. Also, numerous hydrofracturing and wastewater disposal wells are spread across this region. Within a 30 km distance to mainshock, eight class‐II injection wells for industrial wastewater disposal target the deep porous Ellenburger aquifer at an average rate of 1.36 × 10 6 barrel (BBL) per month during 2012–2020. Poroelastic models of fluid diffusion show these nearby injectors collectively imparted up to 80.5 kPa of Coulomb stress at the mainshock location, capable of triggering this M5 event. Assuming the Mentone event occurs when pore‐pressure increase is maximum, the time delay between peak injection and the M5 occurrence corresponds with an optimal permeability of 6.76 × 10 ‐14 m 2 for the Ellenburger aquifer layer, in agreement with independent estimates.

15 GEOTHERMAL ENERGY↗

Modified Dirac Hamiltonian for efficient quantum mechanical simulations of micron sized devices

Representing massless Dirac fermions on a spatial lattice poses a potential challenge known as the Fermion Doubling problem. Addition of a quadratic term to the Dirac Hamiltonian provides a possible way to circumvent this problem. We show that the modified Hamiltonian with the additional term results in a very small Hamiltonian matrix when discretized on a real space square lattice. The resulting Hamiltonian matrix is considerably more efficient for numerical simulations without sacrificing on accuracy and is several orders of magnitude faster than the atomistic tight binding model. Using this Hamiltonian and the non-equilibrium Green's function formalism, we show several transport phenomena in graphene, such as magnetic focusing, chiral tunneling in the ballistic limit, and conductivity in the diffusive limit in micron sized graphene devices. The modified Hamiltonian can be used for any system with massless Dirac fermions such as Topological Insulators, opening up a simulation domain that is not readily accessible otherwise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hydrodynamic description of long-distance spin transport through noncollinear magnetization states: Role of dispersion, nonlinearity, and damping

Nonlocal compensation of magnetic damping by spin injection has been theoretically shown to display dynamic, noncollinear magnetization states that carry spin currents over micrometer distances. Such states can be generically referred to as dissipative exchange flows (DEFs) because spatially diffusing spin currents are established by the mutual exchange torque exerted by neighboring spins. Analytical studies to date have been limited to the weak spin injection assumption whereby the equation of motion for the magnetization is mapped to hydrodynamic equations describing spin flow and then linearized. In this work, we analytically and numerically study easy-plane ferromagnetic channels subject to spin injection of arbitrary strength at one extremum under a unified hydrodynamic framework. We propose that DEFs generally exhibit a nonlinear profile along the channel accompanied by a nonlinear frequency tunability. At large injection strengths, we fully characterize a magnetization state we call a contact-soliton DEF (CS-DEF) composed of a stationary soliton at the injection site, which smoothly transitions into a DEF and exhibits a negative frequency tunability. The transition between a DEF and a CS-DEF occurs at the maximum precessional frequency and coincides with the Landau criterion: a subsonic to supersonic flow transition. Leveraging the hydraulic-electrical analogy, the current-voltage characteristics of a nonlinear DEF circuit are presented. Micromagnetic simulations of nanowires that include magnetocrystalline anisotropy and nonlocal dipole fields are in qualitative agreement with the analytical results. The magnetization states found here along with their characteristic profile and spectral features provide quantitative guidelines to pursue an experimental demonstration of DEFs in ferromagnetic materials and establish a unified description for long-distance spin transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

SU-D-201-04: Study On the Impact of Tumor Shape and Size On Drug Delivery to Pancreatic Tumors

Purpose: Drug delivery to solid tumors can be expressed physically using transport phenomena such as convection and diffusion for the drug of interest within extracellular matrices. We aimed to carefully model these phenomena, and to investigate the effect of tumor shape and size on drug delivery to solid tumors in the pancreas. Methods: In this study, multiple tumor geometries as obtained from clinical PET/CT images were considered. An advanced numerical method was used to simultaneously solve fluid flow and solute transport equations. Data from n=45 pancreatic cancer patients with non-resectable locoregional disease were analyzed, and geometrical information from the tumors including size, shape, and aspect ratios were classified. To investigate effect of tumor shape, tumors with similar size but different shapes were selected and analyzed. Moreover, to investigate effect of tumor size, tumors with similar shapes but different sizes, ranging from 1 to 77 cm{sup 3}, were selected and analyzed. A hypothetical tumor similar to one of the analyzed tumors, but scaled to reduce its size below 0.2 cm{sup 3}, was also analyzed. Results: The results showed relatively similar average drug concentration profiles in tumors with different sizes. Generally, smaller tumors had higher absolute drug concentration. In the hypothetical tumor, with volume less than 0.2 cm{sup 3}, the average drug concentration was 20% higher in comparison to its counterparts. For the various real tumor geometries, however, the maximum difference between average drug concentrations was 10% for the smallest and largest tumors. Moreover, the results demonstrated that for pancreatic tumors the shape is not significant. The negligible difference of drug concentration in different tumor shapes was due to the minimum effect of convection in pancreatic tumors. Conclusion: In tumors with different sizes, smaller tumors have higher drug delivery; however, the impact of tumor shape in the case of pancreatic tumors is not significant.

60 APPLIED LIFE SCIENCES↗

A Study of the Effect of Radiation on Recombination Loss in Heterojunction Solar Cells Based on Single-Crystal Silicon

A method has been developed for numerically estimating the recombination loss in silicon heterojunction solar cells under irradiation. The calculations are based on an analysis of the experimental short-circuit currents. The suggested model makes it possible to evaluate the degree of degradation of semiconductor structures by calculating the decrease in the bulk lifetime and in the diffusion length of carriers. The results obtained are of practical importance for examining the possibility of using this type of solar cells in space conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Shock Dynamics in Stellar Outbursts. I. Shock Formation

Wave-driven outflows and non-disruptive explosions have been implicated in pre-supernova outbursts, supernova impostors, luminous blue variable eruptions, and some narrow-line and superluminous supernovae. To model these events, we investigate the dynamics of stars set in motion by strong acoustic pulses and wave trains, focusing on nonlinear wave propagation, shock formation, and an early phase of the development of a weak shock. We identify the shock formation radius, showing that a heuristic estimate based on crossing characteristics matches an exact expansion around the wave front and verifying both with numerical experiments. Our general analytical condition for shock formation applies to one-dimensional motions within any static environment, including both eruptions and implosions. We also consider the early phase of shock energy dissipation. We find that waves of super-Eddington acoustic luminosity always create shocks, rather than damping by radiative diffusion. Therefore, shock formation is integral to super-Eddington outbursts.

79 ASTRONOMY AND ASTROPHYSICS↗

Compact finite difference schemes for the time fractional diffusion equation with nonlocal boundary conditions

Fourth-order compact finite difference schemes for solving the time fractional diffusion equation with nonlocal boundary conditions are considered in this paper. The second-order derivative in one space variable is approximated by a fourth-order compact finite difference. Two different time derivatives, the Caputo derivative and Riemann–Liouville derivative are considered in the equations that we discuss. The Caputo time derivative is discretized by the L1-approximation and a second-order approximation is used for the Riemann–Liouville derivative. Stability analysis using the discrete energy method for Scheme I is given, and error estimation of this scheme is derived by conducting the local truncation error analysis, using the stability result. Numerical results are provided to show that both two fully discrete schemes have fourth-order accuracy in space, and 2−γ order of accuracy in time for Scheme I with γ being the order of the fractional derivative, while Scheme II has second-order accuracy in time when the theoretical solutions are smooth with zero initial values.

97 MATHEMATICS AND COMPUTING↗

Fermions in Two Dimensions: Scattering and Many-Body Properties

Ultracold atomic Fermi gases in two dimensions (2D) are an increasingly popular topic of research. The interaction strength between spin-up and spin-down particles in two-component Fermi gases can be tuned in experiments, allowing for a strongly interacting regime where the gas properties are yet to be fully understood. We have probed this regime for 2D Fermi gases by performing T = 0 ab initio diffusion Monte Carlo calculations. The many-body dynamics are largely dependent on the two-body interactions; therefore, we start with an in-depth look at scattering theory in 2D. We show the partial-wave expansion and its relation to the scattering length and effective range. Then, we discuss our numerical methods for determining these scattering parameters. Here, we close out this discussion by illustrating the details of bound states in 2D. Transitioning to the many-body system, we also use variationally optimized wave functions to calculate ground-state properties of the gas over a range of interaction strengths. We show results for the energy per particle and parametrize an equation of state. We then proceed to determine the chemical potential for the strongly interacting gas.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Hydroxyl radical yields in the heavy ion radiolysis of water

The yields of hydroxyl radicals in the radiolysis of water with protons and carbon ions have been examined using experimental scavenging techniques coupled with Monte Carlo track simulations. Combined with previous results using helium ions, this set of data gives valuable information on the potential for radiation induced damage to biological systems for light ions with very different track structures. Carbon dioxide production from aerated formic acid solutions in concentrations ranging from 10 -3 to 1 M was used as a probe of hydroxyl radical yields from about 8 ns to 8 µs. Numerical interpolation of the results at slightly different ion energies in combination with data from gamma radiolysis allows for a systematic analysis of both track average and track segment yields. As expected, considerable track chemistry is found to occur on the nanosecond to microsecond time scales. Monte Carlo track simulations employing stochastic diffusion-kinetic calculations of product yields are found to reproduce experimental observations satisfactorily. The track simulations are used to extract hydroxyl radical kinetics in pure water at neutral conditions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Numerical Improvements in Magnetohydrodynamic, Pulsed Power Simulations of Near-Target Plasmas

Magnetohydrodynamic (MHD) simulations of pulsed power experiments frequently result in unphysical runaway heating when extended to low values of mass density. Traditionally, this has been addressed by the use of conductivity floors below which the plasma is given an arbitrarily low conductivity value. Here, a low-density treatment is presented that allows for low-density material to carry current while maintaining a stable temperature. This treatment is implemented in the Ares multiphysics code. Numerical modifications to the conventional vacuum treatment include an energy-conserving density floor, a modified averaging procedure to determine the thermal conductivity at the edge of adjacent zones, and a modified averaging procedure for determining the thermal conductivity in mixed zones that contain material from differing regions. Additionally, anomalous resistivity and Bohm diffusion models are implemented as simplified models for microphysics-induced enhancement of collisional transport. Importantly, the advantage of these various improvements are illustrated in a simple 1-D pulsed power target where the combined changes result in stable temperatures within the lower density regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Glovebox Fires Phase 1: Simulations of Open Burner Experiments

Understanding the duration of a fire required to breach a glovebox via glove ports and/or windows within a facility is important in developing mitigation strategies for safety. To facilitate this understanding, both simulation and experiments are utilized. The approach is to first validate the Computation Fluid Dynamics (CFD) code, Fire Dynamics Simulator (FDS), with experimental data collected by New Mexico Tech (NMT) and then perform simulations of full-scale rooms containing gloveboxes to assess numerous scenarios which would otherwise be cost-prohibitive experimentally. This report provides comparison to first-phase experiments involving a fire without a glovebox. A subsequent report will provide comparison to experiments involving a glovebox. The results indicate good agreement with FDS tending to over predict the pre-mixed and diffusion-mode tests by 6% and 10%, respectively.

42 ENGINEERING↗

Supernova-driven Turbulent Metal Mixing in High-redshift Galactic Disks: Metallicity Fluctuations in the Interstellar Medium and its Imprints on Metal-poor Stars in the Milky Way

The extent to which turbulence mixes gas in the face of recurrent infusions of fresh metals by supernovae (SN) could help provide important constraints on the local star formation conditions. This includes predictions of the metallicity dispersion among metal-poor stars, which suggests that the interstellar medium was not very well mixed at these early times. The purpose of this Letter is to help isolate, via a series of numerical experiments, some of the key processes that regulate turbulent mixing of SN elements in galactic disks. We study the gas interactions in small simulated patches of a galaxy disk with the goal of resolving the small-scale mixing effects of metals at parsec scales, which enables us to measure the turbulent diffusion coefficient in various galaxy environments. By investigating the statistics of variations of α elements in these simulations, we are able to derive constraints not only on the allowed range of intrinsic yield variations in SN explosions but also on the star formation history of the Milky Way. We argue that the observed dispersion of [Mg/Fe] in metal-poor halo stars is compatible with the star-forming conditions expected in dwarf satellites or in an early low-star-forming Milky Way progenitor. In particular, metal variations in stars that have not been phase-mixed can be used to infer the star-forming conditions of disrupted dwarf satellites.

79 ASTRONOMY AND ASTROPHYSICS↗

An Improved Model For Determining Salinity Recharge Time for Deep Borehole Disposal - 20405

In a previous publication (K. P. Travis, D. Burley and F. G. F. Gibb, WM2017 Conference, Phoenix Arizona paper no. 17480) we introduced a numerical model to estimate the time it would take for a pressure perturbation to subside following its creation from the construction of a deep geological borehole in water-saturated rock. The model was based on the notion of a point source of momentum - a solution of the time-dependent pressure-diffusion equation. Using the model, we estimated that it would take on the order of 10 k years for physical equilibrium to become re-established following the sinking of a 5 km borehole in granite. The significance of such a model is that it places an upper bound on the lifetime required of a borehole sealing system - a necessary input to a borehole post-closure safety case assessment. No engineered sealing system has ever been devised which is capable of retaining its sealing properties for 10 half-lives of long-lived radioisotopes in spent fuel or high-level waste. One of the key advantages of disposing of nuclear waste via Deep Borehole Disposal (DBD) is the natural sealing provided by density stratified groundwater. Upon sinking of a borehole, and subsequent filling with fresh water, brine or drilling mud, this natural barrier may be temporarily damaged. Over time, fresh brine from the far-field will flow towards or away from the hole (driven by a pressure gradient) and will eventually re-establish the original salinity gradient. It follows that the engineered seals need last only as long as the time required for this salinity gradient to reset itself. One of the limitations of our previous model was the use of a static boundary condition on the borehole wall. The model used a boundary pressure which varied quadratically with depth (arising from differences between the pressure of a column of fresh water in the borehole and that of a column of brine in the host rock). However as brine replaces fresh water in the borehole (driven by a pressure gradient), the boundary function must change with time. We now introduce an improved model which takes this time dependent boundary condition into account. The model also takes into account the time taken for a mixture of brine and fresh water to re-establish chemical equilibrium through the process of diffusion. The paper contains the mathematical details of our new iterative model as well as results showing the time taken to reach steady state, and concentration profiles for the components of the brine-filled borehole as a function of time together with a discussion on the implications of the results for developing a post-closure safety assessment for DBD. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

TEMPERATURE SPECTRA OF INTERSTELLAR DUST GRAINS HEATED BY COSMIC RAYS. I. TRANSLUCENT CLOUDS

Heating of whole interstellar dust grains by cosmic-ray (CR) particles affects the gas–grain chemistry in molecular clouds by promoting molecule desorption, diffusion, and chemical reactions on grain surfaces. The frequency of such heating, f{sub T}, s{sup −1}, determines how often a certain temperature T{sub CR}, K, is reached for grains hit by CR particles. This study aims to provide astrochemists with a comprehensive and updated data set on CR-induced whole-grain heating. We present calculations of f{sub T} and T{sub CR} spectra for bare olivine grains with radius a of 0.05, 0.1, and 0.2 μ m and such grains covered with ice mantles of thickness 0.1 a and 0.3 a . Grain shape and structure effects are considered, as well as 30 CR elemental constituents with an updated energy spectrum corresponding to a translucent cloud with A{sub V} = 2 mag. Energy deposition by CRs in grain material was calculated with the srim program. We report full T{sub CR} spectra for all nine grain types and consider initial grain temperatures of 10 K and 20 K. We also provide frequencies for a range of minimum T{sub CR} values. The calculated data set can be simply and flexibly implemented in astrochemical models. The results show that, in the case of translucent clouds, the currently adopted rate for heating of whole grains to temperatures in excess of 70 K is underestimated by approximately two orders of magnitude in astrochemical numerical simulations. Additionally, grains are heated by CRs to modest temperatures (20–30 K) with intervals of a few years, which reduces the possibility of ice chemical explosions.

79 ASTRONOMY AND ASTROPHYSICS↗

Electromagnetic diagnostic techniques for hypervelocity projectile detection, velocity measurement, and size characterization: Theoretical concept and first experimental test

A new measurement technique is suggested to augment the characterization and understanding of hypervelocity projectiles before impact. The electromagnetic technique utilizes magnetic diffusion principles to detect particles, measure velocity, and indicate relative particle dimensions. It is particularly suited for detection of small particles that may be difficult to track utilizing current characterization methods, such as high-speed video or flash radiography but can be readily used for large particle detection, where particle spacing or location is not practical for other measurement systems. In this work, particles down to 2 mm in diameter have been characterized while focusing on confining the detection signal to enable multi-particle characterization with limited particle-to-particle spacing. The focus of the paper is on the theoretical concept and the analysis of its applicability based on analytical and numerical calculation. First proof-of-principle experimental tests serve to further validate the method. Some potential applications are the characterization of particles from a shaped-charge jet after its break-up and investigating debris in impact experiments to test theoretical models for the distribution of particles size, number, and velocity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Chemometrics and visible diffuse reflectance spectroscopy to classify plutonium dioxide

Diffuse reflectance (DR) spectra in the Vis-NIR (∼380–1050 nm) region were acquired for a series of PuO 2 samples with a spot size of about 10 × 10 μm. Two batches of six PuO 2 samples, synthesized approximately 7.5 months apart, were prepared using both Pu(III) and Pu(IV) oxalate precursors at three distinct calcination temperatures (450, 650, and 950 °C). This yielded a total of 12 PuO 2 samples and 433 DR spectra. The DR spectrum of PuO 2 contained numerous peaks in the visible region, and characteristic features were identified with respect to calcination temperature and chemistry. A distinct peak multiplet near 615 nm was observed for samples prepared at low calcination temperatures, and a peak near 660 nm was observed for higher calcination temperatures. A multivariate classification strategy based on principal component analysis (PCA) was developed to distinguish PuO 2 calcination temperatures of 450, 650, and 950 °C with 100 % accuracy. Classification results also indicate the potential to distinguish chemical processing history (i.e., Pu(III) or Pu(IV)) based on the spectra with 72 % accuracy based on k-nearest neighbors applied to the PCA scores. Partial least squares discriminant analysis was used to identify variation among batches with 88 % accuracy and found that peaks near 669, 681, 811, and 970 nm were the most useful for predicting the batch identity. Here, this work demonstrates how micro-diffuse reflectance spectroscopy and chemometrics can be used to classify PuO 2 processing history based on Vis-NIR spectral features. Combining the chemometric approach with mapping sequences could provide a rapid, nondestructive approach to classify Pu oxide materials for environmental, forensics, and nonproliferation applications.

Actinide↗

Entropy-based artificial viscosity stabilization for non-equilibrium Grey Radiation-Hydrodynamics

The entropy viscosity method is extended to the non-equilibrium Grey Radiation-Hydrodynamic equations. The method employs a viscous regularization to stabilize the numerical solution. The artificial viscosity coefficient is modulated by the entropy production and peaks at shock locations. The added dissipative terms are consistent with the entropy minimum principle. A new functional form of the entropy residual, suitable for the Radiation-Hydrodynamic equations, is derived. We demonstrate that the viscous regularization preserves the equilibrium diffusion limit. The equations are discretized with a standard Continuous Galerkin Finite Element Method and a fully implicit temporal integrator within the MOOSE multiphysics framework. The method of manufactured solutions is employed to demonstrate second-order accuracy in both the equilibrium diffusion and streaming limits. Several typical 1-D radiation-hydrodynamic test cases with shocks (from Mach 1.05 to Mach 50) are presented to establish the ability of the technique to capture and resolve shocks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗