Anisotropic electrostatic screening of charged colloids in nematic solvents
Anisotropic electrostatic screening in charged nematic colloids is demonstrated using a combination of theory and experiments.
36 MATERIALS SCIENCE↗
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Nonaffine Strains Control Ductility of Metallic Glasses
The origin of limited plasticity in metallic glasses is elusive, with no apparent link to their atomic structure. In this study, we propose that the response of the glassy structure to applied stress, not the original structure itself, provides a gauge to predict the degree of plasticity. We carried out high-energy x-ray diffraction on various bulk metallic glasses (BMGs) under uniaxial compression within the elastic limit and evaluated the anisotropic pair distribution function. We show that the extent of local deviation from the affine (uniform) deformation in the elastic regime is strongly correlated with the plastic behavior of BMGs beyond yield, across chemical compositions and sample history. The results suggest that the propensity for collective local atomic rearrangements under stress promotes plasticity.
3-dimensional systems↗
The analysis of structurally orthotropic shells by means of the compliance method
Structurally orthotropic shells analyzed by compliance method
ORTHOTROPIC SHELL↗
Nonlinear equations of dynamics for spinning paraboloidal antennas
The nonlinear strain-displacement and velocity-displacement relations of spinning imperfect rotational paraboloidal thin shell antennas are derived for nonaxisymmetrical deformations. Using these relations with the admissible trial functions in the principle functional of dynamics, the nonlinear equations of stress inducing motion are expressed in the form of a set of quasi-linear ordinary differential equations of the undetermined functions by means of the Rayleigh-Ritz procedure. These equations include all nonlinear terms up to and including the third degree. Explicit expressions are given for the coefficient matrices appearing in these equations. Both translational and rotational off-sets of the axis of revolution (and also the apex point of the paraboloid) with respect to the spin axis are considered. Although the material of the antenna is assumed linearly elastic, it can be anisotropic.
Utku, S.↗
Consistent Pl Analysis of Aqueous Uranium-235 Critical Assemblies
The lethargy-dependent equations of the consistent Pl approximation to the Boltzmann transport equation for slowing down neutrons have been used as the basis of an IBM 704 computer program. Some of the effects included are (1) linearly anisotropic center of mass elastic scattering, (2) heavy element inelastic scattering based on the evaporation model of the nucleus, and (3) optional variation of the buckling with lethargy. The microscopic cross-section data developed for this program covered 473 lethargy points from lethargy u = 0 (10 Mev) to u = 19.8 (0.025 ev). The value of the fission neutron age in water calculated here is 26.5 square centimeters; this value is to be compared with the recent experimental value given as 27.86 square centimeters. The Fourier transform of the slowing-down kernel for water to indium resonance energy calculated here compared well with the Fourier transform of the kernel for water as measured by Hill, Roberts, and Fitch. This method of calculation has been applied to uranyl fluoride - water solution critical assemblies. Theoretical results established for both unreflected and fully reflected critical assemblies have been compared with available experimental data. The theoretical buckling curve derived as a function of the hydrogen to uranium-235 atom concentration for an energy-independent extrapolation distance was successful in predicting the critical heights of various unreflected cylindrical assemblies. The critical dimensions of fully water-reflected cylindrical assemblies were reasonably well predicted using the theoretical buckling curve and reflector savings for equivalent spherical assemblies.
Fieno, Daniel↗
Recent Developments to the Porous Microstructure Analysis (PuMA) Software
Introduction The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.
Tomography↗
Recent Developments to the Porous Microstructure Analysis (PuMA) Software
The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.
Tomography↗
Buckling Analysis for Stiffened Anisotropic Circular Cylinders Based on Sanders Nonlinear Shell Theory
Nonlinear and bifurcation buckling equations for elastic, stiffened, geometrically perfect, right-circular cylindrical, anisotropic shells subjected to combined loads are presented that are based on Sanders' shell theory. Based on these equations, a three-parameter approximate Rayleigh-Ritz solution and a classical solution to the buckling problem are presented for cylinders with simply supported edges. Extensive comparisons of results obtained from these solutions with published results are also presented for a wide range of cylinder constructions. These comparisons include laminated-composite cylinders with a wide variety of shell-wall orthotropies and anisotropies. Numerous results are also given that show the discrepancies between the results obtained by using Donnell's equations and variants of Sanders' equations. For some cases, nondimensional parameters are identified and "master" curves are presented that facilitate the concise representation of results.
Nemeth, Michael P.↗
On composites with periodic structure
The overall moduli of a composite with an isotropic elastic matrix containing periodically distributed (anisotropic) inclusions or voids, can be expressed in terms of several infinite series which only depend on the geometry of the inclusions or voids, and hence can be computed once and for all for given geometries. For solids with periodic structures these infinite series play exactly the same role as does Eshelby's tensor for a single inclusion or void in an unbounded elastic medium. For spherical and circular-cylindrical geometries, the required infinite series are calculated and the results are tabulated. These are then used to estimate the overall elastic moduli when either the overall strains or the overall stresses are prescribed, obtaining the same results. These results are compared with other estimates and with experimental data. It is found that the model of composites with periodic structure yields estimates in excellent agreement with the experimental observations.
Nemat-Nasser, S.↗
IRMA
IRMA (In)elastic Representation of Materials As S(α,β) evaluations IRMA turns one phonon model into three outputs that usually require three separate tool chains: an evaluated nuclear-data file, predicted neutron-scattering spectra, and scattering kernels for Monte Carlo transport. The three outputs draw on a single, consistent description of the material, so the evaluation, the spectroscopy that can validate it, and the transport that uses it always agree about the physics. Nuclear data. IRMA writes ENDF-6 File 7 thermal scattering evaluations on automatically constructed (α, β) grids. This part reimplements and generalizes NJOY's LEAPR: the classic kernels reproduce freshly generated NJOY2016 tapes digit for digit and published reference tapes to about 1e-4, and the generalized paths add the exact coherent one-phonon term, anisotropic Debye-Waller tensors, coherent elastic for arbitrary crystals, and a per-species partition for polyatomic materials. The tapes feed NJOY, AMPX, FUDGE, and every transport code downstream of them. Neutron spectroscopy. The irma.spectra forward model projects the same physics onto an instrument's kinematics and resolution: INS spectra for VISION and generic indirect geometries, and 2-D S(Q,E) powder maps for direct-geometry spectrometers, from a phonopy model or straight from a phonon DOS. It can be used to predict a proposed measurement before beam time; in analysis, it supplies the calculated single-scattering counterpart of a measured spectrum, from the same material description the evaluation was built from. Monte Carlo transport. The irma.ncrystal exporter writes per-temperature scattering kernels for the companion NCrystal plugin, so McStas, OpenMC, and other NCrystal-aware codes sample the same physics. The exported kernels carry the per-site anisotropic Debye-Waller tensors, keeping directional coherent-elastic physics that NCrystal's standard scalar treatment does not represent. With the same physics inside a transport code, an entire beamline becomes a virtual experiment: IRMA's end-to-end validation ran a custom McStas implementation of the ARCS spectrometer, assembled from the existing McVine and McStas models, against measured data. From a bare crystal structure. The irma mlip front end builds the phonon model itself: a structure file and a choice of potential are enough. Nine pretrained machine-learned interatomic potentials are supported, on a laptop CPU, with no first-principles calculation; an approximate phonon model for a new material costs minutes, not a DFT campaign, and the build emits prefilled inputs for all three outputs. The result is a good starting point rather than a finished evaluation: survey-quality physics with every parameter exposed for review. A converged atomistic calculation enters the same way, as a phonopy model, when higher fidelity is needed.
Ramic, Kemal [Oak Ridge National Laboratory (ORNL)↗
Reducing Operator Complexity of Galerkin Coarse-grid Operators with Machine Learning
Here, we propose a data-driven and machine-learning-based approach to compute non-Galerkin coarse-grid operators in multigrid (MG) methods, addressing the well-known issue of increasing operator complexity. Guided by the MG theory on spectrally equivalent coarse-grid operators, we have developed novel machine learning algorithms that utilize neural networks combined with smooth test vectors from multigrid eigenvalue problems. The proposed method demonstrates promise in reducing the complexity of coarse-grid operators while maintaining overall MG convergence for solving parametric partial differential equation problems. Numerical experiments on anisotropic rotated Laplacian and linear elasticity problems are provided to showcase the performance and comparison with existing methods for computing non-Galerkin coarse-grid operators.
97 MATHEMATICS AND COMPUTING↗
PYROLYTIC GRAPHITE ROCKET THRUST CHAMBER INVESTIGATION PROJECT. MONTHLY LETTER
This is the Monthly Letter Progress Report for the eighth month of a twelve month technical study directed toward the following objectives: A. Determining analytically and experimentally the feasibility and attractiveness of using free-standing pyrolytic graphite for a radiation cooled liquid rocket thrust chamber and exit nozzle for space application. B. Establishing through analysis and experimental demonstration, a set of design principles to facilitate the design of a reliable pyrolytic graphite thrust chamber assembly for a specific range of operating conditions. C. Demonstrate by means of test firings of complete thrust chamber assemblies, the validity of the design data and principles developed during the program. Preparations have been completed for test firing the two 100 lb. thrust Boron Pyralloy chambers at Marquardt during the first week in March 1962. These two chambers will first be static pressure checked with water to a pressure of 135 psig. The chambers will then be test fired with N204/N2H4-MMH propellants . Test samples of eleven different pyrolytic carbide and nitride materials have been ordered for high temperature oxidation tests and should be delivered by the end of March for evaluation in the plasma torch facility. The specific materials ordered in free- standing condition in thicknesses from 0.030 inch to 0.065 inch were as follows: (a) Pyrolytic graphite (on hand) (b) Pyrolytic graphite-boron alloy (on hand) (c) Pyrolytic graphite-tungsten alloy (d)Boron nitride (e) Titanium nitride (f) Silicon carbide (g) Titanium carbide (h) Zirconium carbide (i) Hafnium carbide (j) Niobium carbide (k) Tantalum carbide (l) High density (1 1-90) graphite (m) High density graphite (heat treated) These materials were ordered from Raytheon, HTM, and American Meta 1 Products . A summary of the available data on the oxidation rates of pyrolytic materials under slow air and rocket motor conditions is shown in Figure 1. High Temperature Materials, Inc. has been contacted relative to providing Pyrographite thrust chambers with extra-thick walls . They believe they can deliver chambers with substantially thicker walls than were possible a short time ago. Such a configuration, with acceptable residual stresses, would provide a longer firing life since it is ultimately limited by the oxidation rate of the chamber wall material. Stress and structural studies have continued. The analytical stress studies point out some of the problems associated with the experimental determination of the elastic constants of this highly anisotropic material. Further analysis may shed light on improved techniques for making these experimental determinations. The large potential weight saving available with the use of pyrolytic graphite as a thrust chamber wall material in a radiation cooled rocket motor has been calculated and is shown graphically in Figure 2. Figure A presents the program progress schedule and the actual expenditures as of 7 February 1962.
ROCKET ENGINE↗
Analysis of cracks emanating from a circular hole in unidirectional fiber reinforced composites, part 2
An analytical method is developed for cracks emanating from a circular hole in an off-axis unidirectional fiber-reinforced composite. The method which is formulated by using conservation laws of elasticity and fundamental relationships in anisotropic fracture mechanics, provides a convenient and accurate means to examine the complicated crack behavior, when used in conjunction with a suitable numerical scheme such as the finite element method. The formulation is eventually reduced to a system of linear algebraic equations of mixed-mode stress intensity factors. Fracture parameters, describing crack-tip deformation and fracture in the composite, are obtained explicitly. Effects of material anisotropy and crack/hole geometry are examined also. Of particular interest are the energy release rates associated with crack extension; their values are evaluated for various cases. Results show that mixed-mode stress intensity factors and energy release rates associated with the cracks emanating from a hole change very appreciably with fiber orientation in the composite. K sub 1 and G increase monotonically with increasing theta; but K sub 2 reaches its maximum at theta = 45 deg, and then decreases gradually as theta increases further.
Wang, S. S.↗
Postbuckling of eccentric open-section stiffened composite panels
A numerical study of the postbuckling behavior of open-section stiffened composite compression panels is presented with emphasis on the effects of an anisotropic attached flange on results, the strain distribution near collapse, and the change of buckle pattern during postbuckling response. Results are obtained for a blade stiffened panel with orthotropic or anisotropic attached flanges from a new verison of STAGS, a general, branched shell, nonlinear computer program. Comparisons between these results indicate the effects of anisotropic flanges on the results. Elastic strain distributions are obtained from STAGS and indications are given about the collapse loads and modes of a particular panel. Change of buckle pattern is studied using STAGS and a special purpose computer program for long plates. Comparisons are made with experimental results.
Stein, Manuel↗
Porous Microstructure Analysis (PuMA) software
- Motivation and objectives - Overview of PuMA - Open-source release - Material properties computation - Artificial geometry generation - Property homogenization for anisotropic media - Fiber orientation - Conductivity - Elasticity - Permeability
homogenization↗
Extreme Elasticity Anisotropy in Molecular Glasses
Abstract Glasses are generally assumed to be isotropic and there are no literature reports of elastic anisotropy for molecular glasses. However, as glasses formed by physical vapor deposition can be structurally anisotropic, it is of interest to investigate the elastic anisotropy in these materials. Micro‐Brillouin light spectroscopy is used in several experimental geometries to determine the elastic stiffness tensors of three glass films of itraconazole vapor‐deposited at substrate temperatures ( T sub ) of 330, 315, and 290 K, respectively. Significant elastic anisotropy is observed and, in these glasses, the elastic anisotropy shows a strong correlation with the molecular orientation. The out‐of‐plane and in‐plane Young's moduli of the high T sub (330 K) sample, which features a predominantly vertical molecular orientation, exhibit a high anisotropy ratio of 2.2. The observed elastic anisotropy is much larger than those previously observed in liquid crystals and even many crystalline solids.
Cang, Yu↗
Physical interpretation and application of principles of ultrasonic nondestructive evaluation of high-performance materials
An ultrasonic measurement system employed in the experimental interrogation of the anisotropic properties (through the measurement of the elastic stiffness constants) of the uniaxial graphite-epoxy composites is presented. The continuing effort for the development of improved visualization techniques for physical parameters is discussed. The background is set for the understanding and visualization of the relationship between the phase and energy/group velocity for propagation in high-performance anisotropic materials by investigating the general requirements imposed by the classical wave equation. The consequences are considered when the physical parameters of the anisotropic material are inserted into the classical wave equation by a linear elastic model. The relationship is described between the phase velocity and the energy/group velocity three dimensional surfaces through graphical techniques.
Miller, James G.↗
Reference lattice, sound, stiffness, and magnetic transitions of Ising monolayers
A reference lattice, away from which elastic distortions induced by the spin texturing of two-dimensional (2D) magnets take hold, is motivated from a picture of pairwise Biot-Savart interactions among identical solenoids that either elongate or compress a (“zero-current”) spring lattice. Applied to a paradigmatic CrSiTe 3 monolayer, the reference is given by the average between the atomic positions of ferromagnetic (FM) and Néel antiferromagnetic (AFM) lattices; such an atomic disposition permits understanding structural distortions and elastic energies due to magnetism readily. Furthermore, the anisotropic speed of sound in the magnetic ground state explains an observed anisotropy of vibrational frequencies on similar magnets. Elastic stiffness constants are reported, too. Magnetic energies in four Ising structural configurations were calculated and the strain needed for those 2D magnets to undergo an AFM to FM quantum phase transition was determined as well.
density functional theory↗