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At least 343 records · Page 19

Operational Stability Limits in Rotating Detonation Engine Numerical Simulations

An instability is described which arises in computational fluid dynamic (CFD) simulations of semi-idealized rotating detonation engines (RDE) configured with a throat at the exit. Its existence is verified by examining output from two independently developed CFD codes simulating the same configuration and producing solutions that agree well. The instability is shown to be thermo-acoustic in that a spatial integral of the product of pressure and heat release fluctuations develops a regular oscillation which grows in time. The instability can become severe enough to cause detonation failure. Its onset is shown to be closely linked to the size of the exit throat and the size of the inlet restriction; both parameters that strongly influence RDE performance. It is shown that the instability places a cap on ideal RDEperformance, but that an optimized exhaust throat and inlet restriction combination still yields substantial pressure gain. Other parametric sensitivities are also examined in terms ofinstability growth. These include axial length, inlet manifold pressure, and air-fuel ratio.

Paxson, Daniel E.↗

A Highly Accurate Technique for the Treatment of Flow Equations at the Polar Axis in Cylindrical Coordinates using Series Expansions

Numerical methods for solving the flow equations in cylindrical or spherical coordinates should be able to capture the behavior of the exact solution near the regions where the particular form of the governing equations is singular. In this work we focus on the treatment of these numerical singularities for finite-differences methods by reinterpreting the regularity conditions developed in the context of pseudo-spectral methods. A generally applicable numerical method for treating the singularities present at the polar axis, when nonaxisymmetric flows are solved in cylindrical, coordinates using highly accurate finite differences schemes (e.g., Pade schemes) on non-staggered grids, is presented. Governing equations for the flow at the polar axis are derived using series expansions near r=0. The only information needed to calculate the coefficients in these equations are the values of the flow variables and their radial derivatives at the previous iteration (or time) level. These derivatives, which are multi-valued at the polar axis, are calculated without dropping the accuracy of the numerical method using a mapping of the flow domain from (0,R)*(0,2pi) to (-R,R)*(0,pi), where R is the radius of the computational domain. This allows the radial derivatives to be evaluated using high-order differencing schemes (e.g., compact schemes) at points located on the polar axis. The proposed technique is illustrated by results from simulations of laminar-forced jets and turbulent compressible jets using large eddy simulation (LES) methods. In term of the general robustness of the numerical method and smoothness of the solution close to the polar axis, the present results compare very favorably to similar calculations in which the equations are solved in Cartesian coordinates at the polar axis, or in which the singularity is removed by employing a staggered mesh in the radial direction without a mesh point at r=0, following the method proposed recently by Mohseni and Colonius (1). Extension of the method described here for incompressible flows or for any other set of equations that are solved on a non-staggered mesh in cylindrical or spherical coordinates with finite-differences schemes of various level of accuracy is immediate.

Constantinescu, George S.↗

Toward quantum tunneling from excited states: Recovering imaginary-time instantons from a real-time analysis

We revisit the path integral description of quantum tunneling and its generalization to excited states. For clarity, we focus on the simple toy model of a point particle in a double-well potential, for which we perform all steps explicitly. Instead of performing the familiar Wick rotation from physical to imaginary time—which is inconsistent with the requisite boundary conditions when treating tunneling from excited states—we regularize the path integral by adding an infinitesimal complex contribution to the Hamiltonian, while keeping time strictly real. We find that this gives rise to a complex stationary-phase solution, in agreement with recent insights from Picard-Lefshetz theory. We then show that there exists a class of analytic solutions for the corresponding equations of motion, which can be made to match the appropriate boundary conditions in the physically relevant limits of a vanishing regulator and an infinite physical time. We provide a detailed discussion of this nontrivial limit. We find that, for systems without an explicit time-dependence, our approach reproduces the picture of an instantonlike solution defined on a finite Euclidean-time interval. Lastly, we discuss the generalization of our approach to broader classes of systems, for which it serves as a reliable framework for high-precision calculations. Published by the American Physical Society 2025

Steingasser, Thomas (ORCID:0000000217262117)↗

Detector Materials Scoping Study: Research and Development Recommendations

Radiation detection materials have a unique role in many nuclear security missions. The variety of different applications requires the use of different materials whose characteristics are determined by the specific application requirements. While baseline capabilities have been established to use radiation detection in these applications, the potential to greatly advance those capabilities still exists through the development of superior radiation detection materials and/or the development of new materials that enable new technologies to be implemented more effectively. In 2024 the Defense Nuclear Nonproliferation Research and Development (DNN R&D) Near Field Detection Portfolio charged a detector materials scoping study, composed of a group of radiation-detection materials subject matter experts, to produce a community-wide consensus view of the current state of radiation materials research and to set recommendations for expanded investment over a ten-year time frame. This scoping study sought to understand and document the landscape of how radiation detection materials are used, what characteristics drive the selection of various materials, and what developments are needed to drive the state of the art. To respond to this charge, the scoping study created three working groups, each focusing on a different topical area in radiation detection materials research - Semiconductor Materials, Inorganic Scintillators and Organic Scintillators - with the task to identify the current state of the art in materials research and to provide mission-relevant research and development recommendations. Each working group was chaired by two members of the project team with widely recognized expertise in the field. Solicitations were sent out to experts at the DOE national laboratories, industry, academia and federal government agencies to participate in these working groups. The working groups met at regular intervals throughout 2024 and early 2025, each delivering a technical roadmap designed to enable the pursuit of R&D more intensely on high-impact materials challenges and detector solutions that are deemed as the greatest strategic value to DNN R&D and its stakeholders. The roadmap is also intended to help communicate recommended programmatic priorities within DNN R&D and across the nonproliferation and research communities.

36 MATERIALS SCIENCE↗

A new aerodynamic integral equation based on an acoustic formula in the time domain

An aerodynamic integral equation for bodies moving at transonic and supersonic speeds is presented. Based on a time-dependent acoustic formula for calculating the noise emanating from the outer portion of a propeller blade travelling at high speed (the Ffowcs Williams-Hawking formulation), the loading terms and a conventional thickness source terms are retained. Two surface and three line integrals are employed to solve an equation for the loading noise. The near-field term is regularized using the collapsing sphere approach to obtain semiconvergence on the blade surface. A singular integral equation is thereby derived for the unknown surface pressure, and is amenable to numerical solutions using Galerkin or collocation methods. The technique is useful for studying the nonuniform inflow to the propeller.

Farassat, F.↗

The modulation features of the long-period cosmic ray variations in connection with the sign change of the general magnetic field of the Sun

On the basis of the model and experimental investigations, the spatial distribution of cosmic ray anisotropy for the different epochs of solar activity is studied. A solution is offered to the anisotropic diffusion equation with regard to the electromagnetic conditions for the periods of minimum and maximum solar activity and cosmic ray particle drift in a regular interplanetary magnetic field. It is shown that the long period changes amplitude and phase of the diurnal variations of cosmic rays is limited not only by convection and diffusion of particles but also by the drift effect before and after the sing change of the general magnetic field of the Sun. The calculated model is compared with the results obtained on the basis of an analysis of the experimental data from the neutron super monitor station, and it is shown that for the periods when the lines of magnetic force of the Sun come from the Northern Hemisphere the phase of the first harmonic diurnal variation is shifted forwards to an earlier time.

Iskra, K.↗

Multigrid Methods for EHL Problems

In many bearings and contacts, forces are transmitted through thin continuous fluid films which separate two contacting elements. Objects in contact are normally subjected to friction and wear which can be reduced effectively by using lubricants. If the lubricant film is sufficiently thin to prevent the opposing solids from coming into contact and carries the entire load, then we have hydrodynamic lubrication, where the lubricant film is determined by the motion and geometry of the solids. However, for loaded contacts of low geometrical conformity, such as gears, rolling contact bearings and cams, this is not the case due to high pressures and this is referred to as Elasto-Hydrodynamic Lubrication (EHL) In EHL, elastic deformation of the contacting elements and the increase in fluid viscosity with pressure are very significant and cannot be ignored. Since the deformation results in changing the geometry of the lubricating film, which in turn determines the pressure distribution, an EHL mathematical model must simultaneously satisfy the complex elasticity (integral) and the Reynolds lubrication (differential) equations. The nonlinear and coupled nature of the two equations makes numerical calculations computationally intensive. This is especially true for highly loaded problems found in practice. One novel feature of these problems is that the solution may exhibit sharp pressure spikes in the outlet region. To this date both finite element and finite difference methods have been used to solve EHL problems with perhaps greater emphasis on the use of the finite difference approach. In both cases, a major computational difficulty is ensuring convergence of the nonlinear equations solver to a steady state solution. Two successful methods for achieving this are direct iteration and multigrid methods. Direct iteration methods (e.g Gauss Seidel) have long been used in conjunction with finite difference discretizations on regular meshes. Perhaps one of the best examples of the application of such methods is the recent Effective Influence Method of Dowson and Wang. Multigrid methods have also been used with great success by Venner and Venner and Lubrecht with a good summary being given by Venner. As both these finite difference discretization based approaches appear to provide an efficient way of solving EHL problems, it is important to understand their relative merits. This paper is a first attempt at providing such an understanding in the context of EHL point contact problem, (contact of two spheres), in which the contact zone is a point and an ellipse or circle for unloaded and loaded dry contacts respectively. Since the film thickness and the contact width are generally small compared to the local radius of curvature of the two surfaces, the reduced geometry of the surfaces in the contact area can be accurately approximated to the contact between a paraboloid and a flat surface. The layout of the remainder of this paper is as follows. In section 2 we introduce the form of the equations to be solved. The Effective Influence Newton Method is described in Section 3 while Section 4 describes the Multigrid method to be used. Sections 5 and 6 describe the test problems to be used in the comparison between the two methods and compare the performance of the two methods. Section 7 concludes the paper with an argument of the two methods and suggests some future research directions.

Nurgat, Elyas↗

Decomposition of Electron Ionization Mass Spectra for Space Application Using a Monte-Carlo approach

Rationale: Quadrupole mass spectrometers equipped with an electron ionization (EI) sources have been widely used in space exploration to investigate the composition of planetary surfaces and atmospheres. However, the complexity of the samples and the minimal calibration for the fragmentation of molecules in the ionization chambers have prevented the deconvolution of the majority of the mass spectra obtained at different targets, thus limiting the determination of the exact composition of the samples analyzed. We propose a Monte‐Carlo approach to solve this issue mathematically. Methods: We decomposed simulated mass spectra of mixtures acquired with unit resolving power mass spectrometers and EI sources into the sum of the single components fragmentation patterns weighted by their relative concentration using interior‐point least‐square fitting. To fit compounds with poorly known fragmentation patterns, we used a Monte‐Carlo method to vary the intensity of individual fragment ions. We then decomposed the spectrum thousands of times to obtain a statistical distribution. Results: By performing the deconvolution on a mixture of seven different molecules with interfering fragmentation patterns (H2O, O2, CH4, Ar, N2, C2H4, and C2H6) we show that this approach retrieves the mixing ratio of the individual components more accurately than regular mass spectra decomposition methods that rely on fragmentation patterns from general databases. It also provides the probability density function for each species's mixing ratio. Conclusions: By removing the solution degeneracy in the decomposition of mass spectra, the method described herein could significantly increase the scientific retrieval from archived space flight mass spectrometry data, where calibration of the ionization source is no longer an option.

Thomas Gautier↗

An Overview of the Null-Field Method. I. Formulation and Basic Results

In this paper we revisit the fundamentals of the null-field method with discrete sources. We prove the unique solvability of the null-field equations for the total field inside the particle and the internal field outside the particle, at all wavenumbers. For this purpose, we use the equivalence between the null-field and surface integral equations methods. Furthermore, we discuss the completeness property of different systems of discrete sources for a surface field approximation, and derive an infinite set of integral equations for the surface fields in a variety of discrete sources. Finally, we formulate the null-field scheme as an approach aiming to construct an approximate solution to the scattering problem. The way in which we introduce the matrix of a particle is different from the standard approach relying on the assumption that the system of regular vector spherical wave functions for the interior problem is a basis.

Null-field method↗

A physics-informed and hierarchically regularized data-driven model for predicting fluid flow through porous media

This paper presents a new deep learning data-driven model for predicting structure dependent pore-fluid velocity fields in rock. The model is based on a Convolutional Auto-Encoder (CAE) artificial neural network capable of learning from image data generated by direct numerical simulations of fluid flow through pore-structures, such as by Lattice Boltzmann or molecular dynamics methods. The main novelty of the model in comparison to previous CAE-based data-driven approaches consists of three parts. The first is a methodology for decomposing the full-domain of the porous media into sub-regions, or “sub-domains”, in order to reduce the overall size of the CAE, batch process the sub-domains in parallel, and enable the CAE to learn local and generalizable nonlinear mappings of pore-fluid velocities. The second consists of embedding the finite difference solutions of the incompressible Navier-Stokes and continuity equations into convolutional layers prior to the CAE in order to provide the CAE with knowledge of fluid dynamics physics (PhyFlow). The third main novelty is that the training of the CAE is regularized with a hierarchical loss function that encourages the learning of fluid flow patterns (in a way similar to ranked modes in principal component analysis), ranking from most to least important. This is shown to increase the stability in learning, reduce over-fitting, and promote interpretability of the CAE neural network layers (HierCAE). The comprehensive new data-driven model, which we call the PhyFlow-HierCAE model, is shown to exhibit improved accuracy and generalizability of flow field predictions over conventional CAE models, attributable to the embedded physical knowledge and the hierarchical regularization, as well as realize orders of magnitude speed-ups in computation times as a surrogate for the direct numerical simulations. Examples of training and forward predictions on unseen pore-structures are provided and evaluated for data from Lattice Boltzmann and molecular dynamics simulations of pore-fluid flow. The model is shown to be a fast and accurate emulator (or “surrogate”) for predicting effective permeability of unseen pore-structures based on learning from relatively small direct numerical simulation datasets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Polarity-Tolerant Chloride Binding in Foldamer Capsules by Programmed Solvent-Exclusion

Persistent anion binding in a wide range of solution environments is a key challenge that continues to motivate and demand new strategies in synthetic receptor design. Though strong binding in low-polarity solvents has become routine, our ability to maintain high affinities in high-polarity solvents has not yet reached the standard set by nature. Anions are bound and transported regularly in aqueous environments by proteins that use secondary and tertiary structure to isolate anion binding sites from water. Inspired by this principle of solvent exclusion, we created a sequence-defined foldameric capsule whose global minimum conformation displays a helical folded state and is preorganized for 1:1 anion complexation. The high stability of the folded geometry and its ability to exclude solvent were supported by solid-state and solution phase studies. This capsule then withstood a 4-fold increase in solvent dielectric constant (εr) from dichloromethane (9) to acetonitrile (36) while maintaining a high and solvent-independent affinity of 10 5 M –1 ; ΔG ~ 28 kJ mol –1 . This behavior is unusual. More typical of solvent-dependent behavior, Cl – affinities were seen to plummet in control compounds, such as aryl-triazole macrocycles and pentads, with their solvent-exposed binding cavities susceptible to dielectric screening. Finally, dimethyl sulfoxide denatures the foldamer by putative solvent binding, which then lowers the foldamer’s Cl – affinity to normal levels. Furthermore, the design of this capsule demonstrates a new prototype for the development of potent receptors that can operate in polar solvents and has the potential to help manage hydrophilic anions present in the hydrosphere and biosphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hyperheavy spherical and toroidal nuclei: The role of shell structure

The properties of toroidal hyperheavy even-even nuclei and the role of toroidal shell structure are extensively studied within covariant density functional theory. The general trends in the evolution of toroidal shapes in the Z ≈ 130–180 region of the nuclear chart are established for the first time. These nuclei are stable with respect to breathing deformations. The most compact fat toroidal nuclei are located in the Z ≈ 136, N ≈ 206 region of the nuclear chart, but thin toroidal nuclei become dominant with increasing proton number and toward proton and neutron drip lines. The roles of toroidal shell structure, its regularity, supershell structure, and shell gaps as well as the role of different groups of the pairs of the orbitals in its formation are investigated in detail. The lowest in energy solutions at axial symmetry are characterized either by large shell gaps or low density of the single-particle states in the vicinity of the Fermi level in at least one of the subsystems (proton or neutron). Related quantum shell effects are expected to act against the instabilities in breathing and sausage deformations for these subsystems. The investigation with a large set of covariant energy density functionals reveals that substantial proton Z = 154 and 186 and neutron N = 228, 308, and 406 spherical shell gaps exist in all functionals. The nuclei in the vicinity of the combination of these particle numbers form the islands of stability of spherical hyperheavy nuclei. Furthermore, the study suggests that the N = 210 toroidal shell gap plays a substantial role in the stabilization of fat toroidal nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Numerical recovery of material parameters in Euler-Bernoulli beam models

A fully Sinc-Galerkin method for recovering the spatially varying stiffness parameter in fourth-order time-dependence problems with fixed and cantilever boundary conditions is presented. The forward problems are discretized with a sinc basis in both the spatial and temporal domains. This yields an approximation solution which converges exponentially and is valid on the infinite time interval. When the forward methods are applied to parameter recovery problems, the resulting inverse problems are ill-posed. Tikhonov regularization is applied and the resulting minimization problems are solved via a quasi-Newton/trust region algorithm. The L-curve method is used to determine an appropriate value of the regularization parameter. Numerical results which highlight the method are given for problems with both fixed and cantilever boundary conditions.

Smith, R. C.↗

Tracking magnetogram proper motions by multiscale regularization

Long uninterrupted sequences of solar magnetograms from the global oscillations network group (GONG) network and from the solar and heliospheric observatory (SOHO) satellite will provide the opportunity to study the proper motions of magnetic features. The possible use of multiscale regularization, a scale-recursive estimation technique which begins with a prior model of how state variables and their statistical properties propagate over scale. Short magnetogram sequences are analyzed with the multiscale regularization algorithm as applied to optical flow. This algorithm is found to be efficient, provides results for all the spatial scales spanned by the data and provides error estimates for the solutions. It is found that the algorithm is less sensitive to evolutionary changes than correlation tracking.

Jones, Harrison P.↗

Thermal and Solutal Convection Damping Using an Applied Magnetic Field

Samples of eutectic Bi/Mn alloy were directionally solidified in the presence of a transverse magnetic field to determine if gravity-induced convection effects could be reduced or eliminated. The microstructure of Bi/MnBi is characterized by a regular, aligned-rod eutectic morphology that is sensitive to growth conditions. This, combined with ferromagnetism of one of the components, MnBi, can be used to eliminate whether convection effects are significant enough to be effected by the presence of a static, homogeneous, magnetic field.

Pirich, R. G.↗

Modular Flooring System

The modular flooring system (MFS) was developed to provide a portable, modular, durable carpeting solution for NASA fs Robotics Alliance Project fs (RAP) outreach efforts. It was also designed to improve and replace a modular flooring system that was too heavy for safe use and transportation. The MFS was developed for use as the flooring for various robotics competitions that RAP utilizes to meet its mission goals. One of these competitions, the FIRST Robotics Competition (FRC), currently uses two massive rolls of broadloom carpet for the foundation of the arena in which the robots are contained during the competition. The area of the arena is approximately 30 by 72 ft (approximately 9 by 22 m). This carpet is very cumbersome and requires large-capacity vehicles, and handling equipment and personnel to transport and deploy. The broadloom carpet sustains severe abuse from the robots during a regular three-day competition, and as a result, the carpet is not used again for competition. Similarly, broadloom carpets used for trade shows at convention centers around the world are typically discarded after only one use. This innovation provides a green solution to this wasteful practice. Each of the flooring modules in the previous system weighed 44 lb (.20 kg). The improvements in the overall design of the system reduce the weight of each module by approximately 22 lb (.10 kg) (50 %), and utilize an improved "module-to-module" connection method that is superior to the previous system. The MFS comprises 4-by-4-ft (.1.2-by- 1.2-m) carpet module assemblies that utilize commercially available carpet tiles that are bonded to a lightweight substrate. The substrate surface opposite from the carpeted surface has a module-to-module connecting interface that allows for the modules to be connected, one to the other, as the modules are constructed. This connection is hidden underneath the modules, creating a smooth, co-planar flooring surface. The modules are stacked and strapped onto durable, commercially available drywall carts for storage and/or transportation. This method of storage and transportation makes it very convenient and safe when handling large quantities of modules.

Thate, Robert↗

Some efficient methods for obtaining infinite series solutions of n-th order linear ordinary differential equations

The use of the theta-operator method and generalized hypergeometric functions in obtaining solutions to nth-order linear ordinary differential equations is explained. For completeness, the analysis of the differential equation to determine whether the point of expansion is an ordinary point or a regular singular point is included. The superiority of the two methods shown over the standard method is demonstrated by using all three of the methods to work out several examples. Also included is a compendium of formulae and properties of the theta operator and generalized hypergeometric functions which is complete enough to make the report self-contained.

Allen, G.↗

Stability of three-dimensional boundary layers

The computational modeling of the transition process characteristic of flows over swept wings is discussed. Specifically, the crossflow instability and crossflow/Tollmien-Schlichting wave interactions are analyzed through the numerical solution of the full three-dimensional Navier-Stokes equations including unsteadiness, curvature, and sweep. This approach is chosen because of the complexity of the problem and because it appears that regular stability theory is insufficient to explain the discrepancies between experiments and between theory and experiment. The leading edge region of a swept wing will be considered in a three-dimensional spatial simulation with random disturbances as the initial conditions.

Reed, Helen L.↗