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Micrometer: Micromechanics transformer for predicting full field mechanical responses of heterogeneous materials

Predicting mechanical responses of heterogeneous materials across scales remains a significant challenge. Traditional computational methods often struggle with complex and multiscale nature of these materials, limiting their effectiveness in real-world applications. Here, in this paper, we introduce Micrometer, a vision transformer based deep learning model designed to predict full field mechanical responses of heterogeneous materials, bridging the gap between computer vision and solid mechanics problems. We show that Micrometer, trained on a large-scale high-resolution dataset of 2D fiber-reinforced composites, can achieve state-of-the-art performance in predicting microscale strain fields across a wide range of material properties and loading conditions. Our model demonstrates accuracy and computational efficiency in applications such as computational homogenization and multiscale modeling, reducing computational time by up to two orders of magnitude compared to conventional numerical solvers while maintaining less than 1 % errors in predicting macroscale stress fields. Furthermore, we showcase Micrometer’s adaptability through transfer learning experiments on new materials with limited data, highlighting its potential to tackle diverse scenarios in computational solid mechanics. These results represent a significant step towards AI-driven innovation in materials science, addressing the limitations of traditional numerical methods and paving the way for more efficient simulations of heterogeneous materials across various industrial applications.

Composite materials

A Green’s function fast multipole method for computation of micromechanical fields in heterogeneous materials

Computation of micromechanical fields in heterogeneous materials is usually performed using either the finite element method or the Green’s function method based on FFTs. The finite element method allows for accurate discretization and for non-periodic boundary conditions but is computationally expensive. On the other hand, the FFT-based method is computationally efficient but requires discretization on a regular grid of hexahedral voxels. In this paper, a Green’s function method allowing for accurate discretization using tetrahedral elements and for non-periodic boundary conditions is proposed. The convolution is computed using the fast multipole method, which provides good accuracy even for low-order expansion due to the fast decay of interactions between elements. The proposed Green’s function fast multipole method is verified by comparison with analytical and FFT-based solutions. Furthermore, the computational time is analyzed and compared to the FFT-based method for non-periodic convolution. Finally, effective properties of an elastic polycrystalline microstructure containing thin intergranular cracks are computed and analyzed.

36 MATERIALS SCIENCE

The effect of material heterogeneity in curved composite beams for use in aircraft structures

A design tool is presented for predicting the effect of material heterogeneity on the performance of curved composite beams for use in aircraft fuselage structures. Material heterogeneity can be induced during processes such as sheet forming and stretch forming of thermoplastic composites. This heterogeneity can be introduced in the form of fiber realignment and spreading during the manufacturing process causing a gradient in material properties in both the radial and tangential directions. The analysis procedure uses a separate two-dimensional elasticity solution for the stresses in the flanges and web sections of the beam. The separate solutions are coupled by requiring the forces and displacements match at the section boundaries. Analysis is performed for curved beams loaded in pure bending and uniform pressure. The beams can be of any general cross-section such as a hat, T-, I-, or J-beam. Preliminary results show that geometry of the beam dictates the effect of heterogeneity on performance. Heterogeneity plays a much larger role in beams with a small average radius to depth ratio, R/t, where R is the average radius of the beam and t is the difference between the inside and outside radius. Results of the analysis are in the form of stresses and displacements, and they are compared to both mechanics of materials and numerical solutions obtained using finite element analysis.

Otoole, Brendan J.

10-th order of accuracy for numerical solution of 3-D elasticity equations for heterogeneous materials on unfitted Cartesian meshes

We have developed the Optimal Local Truncation Error Method (OLTEM) with 10-th order of accuracy on unfitted Cartesian meshes for a system of 3-D elasticity equations with smooth irregular interfaces. 5 x 5 x 5 = 125-point stencils (similar to those for quadratic finite elements) for elastic heterogeneous materials are used for OLTEM. There are no unknowns at the interface points between different materials; the structure of the global discrete equations is the same for homogeneous and heterogeneous materials. The calculation of unknown stencil coefficients is based on the minimization of the local truncation error of the stencil equations and yields the optimal 10-th order of accuracy for OLTEM on unfitted Cartesian meshes, i.e., the increase by 7 orders in accuracy compared to quadratic finite elements on conformal meshes. A new post-processing procedure provides the 9-th order of accuracy for stresses in the 3-D case. Similar to basic computations it uses OLTEM with the 125-point stencils, the interface conditions and the elasticity equations. It was shown that the use of the elasticity equations for post-processing improves the accuracy of 0.1% stresses by 6 orders compared to post-processing without the use of PDEs. At an accuracy of for stresses, OLTEM with the new post-processing procedure reduces the number of degrees of freedom by 360 - 8000 times compared to quadratic finite elements with similar stencils. OLTEM with the 125-point stencils yields even more accurate results than high-order finite elements with much wider stencils. OLTEM provides accurate numerical results for compressible and nearly incompressible materials.

elasticity equations

Progress towards subsurface spectroscopy inside heterogeneous materials using four wave mixing phase conjugation

Herein, we report preliminary results on subsurface spectroscopy inside heterogeneous materials using four wave mixing phase conjugation. For our test material we use an inert plastic bonded explosive simulant that contains fluorescent guidestar particles. Using phase conjugation, we are able to obtain spectral enhancements approximately equal to the phase conjugate reflectivity. Additionally, we discuss future directions to improve this technique to obtain greater signal enhancements.

47 OTHER INSTRUMENTATION

Mapping the Structure of Heterogeneous Materials

Image-processing microdensitometer/Fourier analyzer yields statistics of subcomponent distribution. Nondestructive method for studying structure heterogeneous materials uses energy-dispersive X-ray analysis in scanning electron microscope. Scanning microdensitometer/Fourier analyzer (SMFA) is applied to SEM images to obtain statistics about sample structure. Method originally developed for studying effect on combustion of fine structure of composite solid propellants.

Strand, L. D.

Subsurface Spectroscopy in Heterogeneous Materials Using Self-Healing Laser Beams

Self-healing optical beams are a class of propagation modes that can recover their beam shapes after distortion or partial blockage. This self-healing property makes them attractive for use in applications involving turbid media as they can—in theory—penetrate further into these materials than standard Gaussian beams. In this paper, we characterize the propagation of two different self-healing beams (Bessel and Airy) through a solid scattering material with different scatterer concentrations and find that both beams do recover after scattering for samples below a threshold scatterer concentration. Additionally, we test the applicability of both beam shapes for improved sub-surface spectroscopy in heterogeneous materials using fluorescent particles and find that there is an average fluorescence intensity enhancement of 1.3× using self-healing beams versus a standard Gaussian beam.

47 OTHER INSTRUMENTATION

The effect of material heterogeneity and random loading on the mechanics of fatigue crack growth

This paper reviews experimental work on the influence of variable amplitude or random loads on the mechanics and micromechanisms of fatigue crack growth. Implications are discussed in terms of the crack driving force, local plasticity, crack closure, crack blunting, and microstructure. Due to heterogeneity in the material's microstructure, the crack growth rate varies with crack tip position. Using the weakest link theory, an expression for crack growth rate is obtained as the expectation of a random variable. This expression is used to predict the crack growth rates for aluminum alloys, a titanium alloy, and a nickel steel in the mid-range region. It is observed, using the present theory, that the crack growth rate obeys the power law for small stress intensity factor range, and that the power is a function of a material constant.

Srivatsan, T. S.

Mesoscale Computational Investigation of Shocked Heterogeneous Materials with Application to Large Impact Craters

The propagation of shock waves through target materials is strongly influenced by the presence of small-scale structure, fractures, physical and chemical heterogeneities. Pre-existing fractures often create craters that appear square in outline (e.g. Meteor Crater). Reverberations behind the shock from the presence of physical heterogeneity have been proposed as a mechanism for transient weakening of target materials. Pre-existing fractures can also affect melt generation. In this study, we are attempting to bridge the gap in numerical modeling between the micro-scale and the continuum, the so-called meso-scale. To accomplish this, we are developing a methodology to be used in the shock physics hydrocode (CTH) using Monte-Carlo-type methods to investigate the shock properties of heterogeneous materials. By comparing the results of numerical experiments at the micro-scale with experimental results and by using statistical techniques to evaluate the performance of simple constitutive models, we hope to embed the effect of physical heterogeneity into the field variables (pressure, stress, density, velocity) allowing us to directly imprint the effects of micro-scale heterogeneity at the continuum level without incurring high computational cost.

Crawford, D. A.

Ultrasonic characterization of material heterogeneities in stainless steel components produced by laser powder bed fusion

We introduce pulse-echo ultrasound as a method for characterizing the impact of powder bed fusion parameters on the properties of additively manufactured stainless-steel components, their material anisotropy, and location-dependent heterogeneity. Our results indicate that accurate characterization requires careful selection of ultrasonic propagation paths, which must consider the direction of additive layering, variations in processing parameters, and the component's geometry. We employed two distinct methods to estimate material properties from ultrasonic data: One assumes isotropy, while the other accounts for anisotropic interactions during the propagation of elastic waves. When applied to samples fabricated with laser energy densities ranging from 24 to 42 J/mm³ , these methods revealed transverse isotropy and weak anisotropy (quantified by small Thomsen parameters, ε = 0.0651 and γ = 0.0092) and less than a ∼6 % change in acoustic impedance. The assumption of isotropy, in this case, leads to small errors (less than 4 % or 1 % for Young's modulus in the build or transverse directions) when estimating orthotropic material properties using ultrasonic data measured along just two orthogonal directions, one of which must align with the build direction. By comparing ultrasonic measurements — which aggregate the spatial variability in material properties along the length of elastic wave propagation into a single value — with localized measurements obtained from surface nanoindentation, we uncovered and spatially profiled significant differences between the surface and interior properties. Specifically, the surface Young's modulus decreased from approximately 210 GPa to 180 GPa within a depth of about 3 mm. We attribute this surface-localized heterogeneity in PBF-fabricated components to distinct thermal histories experienced by the surface and interior regions. Collectively, the results of this study establish a framework for the ultrasonic characterization of material heterogeneity and anisotropy in material properties and demonstrate its application in additively manufactured metal components.

36 MATERIALS SCIENCE

A Frequency-Dependent Q Model Based Upon Transient Rheological Properties of Heterogeneous Materials

Seismic attenuation at low frequency has previously been modeled using two approaches: (1) Examination of all possible microstructural dislocation mechanisms that involve irreversible thermodynamics [Minster and Anderson 1981, P. Trans. R.S. Lond, A, 299]; (2) Parameterized superposition of one-dimensional analogue springs and dashpots, usually consisting of a three-parameter standard linear solid arrangement [Liu et al. 1976, G.J.R.A.S., 47]. The first approach is appealing in that a strong connection is made between micromechanical dissipation and short-term creep that can be studied in the laboratory. The second approach has the advantage of providing a robust 'fit' to actual seismic observations, but has little intrinsic physical content...

Ivins, Erik R.

An Internal Digital Image Correlation Technique for High-Strain Rate Dynamic Experiments

Full-field, quantitative visualization techniques, such as digital image correlation (DIC), have unlocked vast opportunities for experimental mechanics. However, DIC has traditionally been a surface measurement technique, and has not been extended to perform measurements on the interior of specimens for dynamic, full-scale laboratory experiments. This limitation restricts the scope of physics which can be investigated through DIC measurements, especially in the context of heterogeneous materials. The focus of this study is to develop a method for performing internal DIC measurements in dynamic experiments. The aim is to demonstrate its feasibility and accuracy across a range of stresses (up to 650 MPa), strain rates (10 3 - 10 6 s -1 ), and high-strain rate loading conditions (e.g., ramped and shock wave loading). Internal DIC is developed based on the concept of applying a speckle pattern at an inner-plane of a transparent specimen. The high-speed imaging configuration is coupled to the traditional dynamic experimental setups, and is focused on the internal speckle pattern. During the experiment, while the sample deforms dynamically, in-plane, two-dimensional deformations are measured via correlation of the internal speckle pattern. In this study, the viability and accuracy of the internal DIC technique is demonstrated for split-Hopkinson (Kolsky) pressure bar (SHPB) and plate impact experiments. The internal DIC experimental technique is successfully demonstrated in both the SHPB and plate impact experiments. In the SHPB setting, the accuracy of the technique is excellent throughout the deformation regime, with measurement noise of approximately 0.2% strain. In the case of plate impact experiments, the technique performs well, with error and measurement noise of 1% strain. The internal DIC technique has been developed and demonstrated to work well for full-scale dynamic high-strain rate and shock laboratory experiments, and the accuracy is quantified. Here, the technique can aid in investigating the physics and mechanics of the dynamic behavior of materials, including local deformation fields around dynamically loaded material heterogeneities.

36 MATERIALS SCIENCE

Development of a Novel Method for Determination of Residual Stresses in a Friction Stir Weld

Material constitutive properties, which describe the mechanical behavior of a material under loading, are vital to the design and implementation of engineering materials. For homogeneous materials, the standard process for determining these properties is the tensile test, which is used to measure the material stress-strain response. However, a majority of the applications for engineering materials involve the use of heterogeneous materials and structures (i.e. alloys, welded components) that exhibit heterogeneity on a global or local level. Regardless of the scale of heterogeneity, the overall response of the material or structure is dependent on the response of each of the constituents. Therefore, in order to produce materials and structures that perform in the best possible manner, the properties of the constituents that make up the heterogeneous material must be thoroughly examined. When materials exhibit heterogeneity on a local level, such as in alloys or particle/matrix composites, they are often treated as statistically homogenous and the resulting 'effective' properties may be determined through homogenization techniques. In the case of globally heterogeneous materials, such as weldments, the standard tensile test provides the global response but no information on what is Occurring locally within the different constituents. This information is necessary to improve the material processing as well as the end product.

Reynolds, Anthony P.

Heterogeneous Superconducting Low-Noise Sensing Coils

A heterogeneous material construction has been devised for sensing coils of superconducting quantum interference device (SQUID) magnetometers that are subject to a combination of requirements peculiar to some advanced applications, notably including low-field magnetic resonance imaging for medical diagnosis. The requirements in question are the following: The sensing coils must be large enough (in some cases having dimensions of as much as tens of centimeters) to afford adequate sensitivity; The sensing coils must be made electrically superconductive to eliminate Johnson noise (thermally induced noise proportional to electrical resistance); and Although the sensing coils must be cooled to below their superconducting- transition temperatures with sufficient cooling power to overcome moderate ambient radiative heat leakage, they must not be immersed in cryogenic liquid baths. For a given superconducting sensing coil, this combination of requirements can be satisfied by providing a sufficiently thermally conductive link between the coil and a cold source. However, the superconducting coil material is not suitable as such a link because electrically superconductive materials are typically poor thermal conductors. The heterogeneous material construction makes it possible to solve both the electrical- and thermal-conductivity problems. The basic idea is to construct the coil as a skeleton made of a highly thermally conductive material (typically, annealed copper), then coat the skeleton with an electrically superconductive alloy (typically, a lead-tin solder) [see figure]. In operation, the copper skeleton provides the required thermally conductive connection to the cold source, while the electrically superconductive coating material shields against Johnson noise that originates in the copper skeleton.

Hahn, Inseob

Heterogeneous energetic material damage simulator (HEDS): A deep learning approach to simulate damage–sensitivity linkages

Damage in the microstructures of energetic materials (EMs), such as propellants and plastic bonded explosives (PBXs), can significantly alter their response to external loads. Both sensitization and desensitization can occur, causing concerns with safety and performance in the field; predictive models that connect damage and the sensitivity of EMs can enable design and provide confidence in their robustness and reliability. However, modeling of damage evolution is challenging for real microstructures of EMs; samples of damaged EMs are difficult to obtain, thereby hindering experiments and direct numerical simulations to determine the sensitivity of EMs at various stages of damage. Here, we develop an approach to generate synthetic, i.e., in silico produced, damaged microstructures for use in simulations to connect damage levels to sensitivity. The development of the present workflow to generate and impose varying levels of damage in microstructures, known as HEDS (Heterogeneous Energetic Material Damage Simulator), begins with a small set of images of damaged PBXs and combines a collection of deep neural network techniques to generate microstructures with varying levels of damage. By making the synthetic microstructures conform closely to those observed in available real, imaged microstructures, we develop an ensemble of damaged microstructures that can be used for in silico shock experiments. HEDS develops these microstructure ensembles as level set fields, which are directly employed in a sharp interface Eulerian hydrocode where shock simulations are performed to quantify the energy release rate from hotspot fields generated in the microstructure. These capabilities can be useful for the analysis and assessment of changes in the sensitivity of EMs and to design formulations that are less susceptible to damage-induced changes in sensitivity and performance.

Fang, Irene (ORCID:0009000844557122)