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DOE OSTI2025

Interpretable machine learning-guided design of Fe-based soft magnetic alloys

Here, we present a machine learning (ML) guided approach to predict saturation magnetization (𝑀 S ) and coercivity (𝐻 C ) in Fe-rich soft magnetic alloys, particularly Fe-Si-B systems. ML models trained on experimental data reveal that increasing Si and B content reduces 𝑀 S from 1.81 T (DFT ≈ 2.04 T) to ≈1.54 T (DFT ≈ 1.56T) in Fe-Si-B, which is attributed to decreased magnetic density and structural modifications. Experimental validation of ML predicted magnetic saturation on Fe-1Si-1B (2.09 T), Fe-5Si-5B (2.01 T), and Fe-10Si-10B (1.54 T) alloy compositions further supports our findings. These trends are consistent with density functional theory predictions, which link increased electronic disorder and band broadening to lower 𝑀 S values. Experimental validation on selected alloys confirms the predictive accuracy of the ML model, with good agreement across compositions. Beyond predictive accuracy, detailed uncertainty quantification and model interpretability including through feature importance and partial dependence analysis reveal that 𝑀 S is governed by a nonlinear interplay between Fe content and early transition metal ratios, while 𝐻 C is more sensitive to processing conditions such as ribbon thickness and thermal treatment windows. The ML framework was further applied to Fe-Si-B/Cr/Cu/Zr/Nb alloys in a pseudoquaternary compositional space, which shows comparable magnetic properties to NANOMET (Fe 84.8 ⁢Si 0.5 ⁢B 9.4 ⁢Cu 0.8⁢ P 3.5 ⁢C 1 ), FINEMET (Fe 73.5 ⁢Si 13.5 ⁢B 9 Cu 1 ⁢Nb 3 ), NANOPERM (Fe 88 ⁢Zr 7⁢ B 4 ⁢Cu 1 ), and HITPERM (Fe 44 ⁢Co 44 ⁢Zr 7⁢ B 4 ⁢Cu 1 . Our findings demonstrate the potential of the ML framework for accelerated search of high-performance soft magnetic materials.

density functional theory↗

DOE OSTI2021

Composite entanglement topology and extensional rheology of symmetric ring-linear polymer blends

Extensive molecular simulations are applied to characterize the equilibrium dynamics, entanglement topology, and nonlinear extensional rheology of symmetric ring-linear polymer blends with systematically varied ring fraction ϕR. Chains with degree of entanglement Z≈14 are mixed to produce 10 well-entangled systems with ϕR varying from neat linear to neat ring melts. Z is large enough that except for very large ϕR, the rings are threaded by multiple linear chains in equilibrium. Primitive path analysis is used to visualize and quantify the structure of the composite ring-linear entanglement network. We measure the quantity of ring-linear threading and linear-linear entanglement as a function of ϕR and identify with simple arguments a ring fraction ϕR≈0.4 where the topological constraints of the composite entanglement network are maximized. These topological analyses are used to rationalize the ϕR-dependence of ring and linear chain dynamics, conformations, and rheology. Simulations of startup uniaxial elongation flows demonstrate the extensional stress overshoot observed in recent filament stretching experiments and characterize how it depends on the blend composition and entanglement topology. The overshoot is driven by an overstretching and recoil of ring polymers due to the convective unthreading of rings from linear chains.

O’Connor, Thomas C.↗

DOE OSTI2024

New insights into supradense matter from dissecting scaled stellar structure equations

The strong-field gravity in general relativity (GR) realized in neutron stars (NSs) renders the equation of state (EOS) P(ε) of supradense neutron star matter to be essentially nonlinear and refines the upper bound for Φ ≡ P/ε to be much smaller than the special relativity (SR) requirement with linear EOSs, where P and ε are respectively the pressure and energy density of the system considered. Specifically, a tight bound Φ ≲ 0.374 is obtained by perturbatively anatomizing the intrinsic structures of the scaled Tolman–Oppenheimer–Volkoff (TOV) equations without using any input nuclear EOS. New insights gained from this novel analysis provide EOS-model-independent constraints on the properties (e.g., density profiles of the sound speed squared s 2 = dP/dε and trace anomaly Δ = 1/3 – Φ) of cold supradense matter in NS cores. Using the gravity-matter duality in theories describing NSs, we investigate the impact of gravity on supradense matter EOS in NSs. In particular, we show that the NS mass M NS , radius R, and compactness ξ ≡ M NS /R scale with certain combinations of its central pressure and energy density (encapsulating its central EOS). Thus, observational data on these properties of NSs can straightforwardly constrain NS central EOSs without relying on any specific nuclear EOS model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1986

A numerical study of the thermal stability of low-lying coronal loops

The nonlinear evolution of loops that are subjected to a variety of small but finite perturbations was studied. Only the low-lying loops are considered. The analysis was performed numerically using a one-dimensional hydrodynamical model developed at the Naval Research Laboratory. The computer codes solve the time-dependent equations for mass, momentum, and energy transport. The primary interest is the active region filaments, hence a geometry appropriate to those structures was considered. The static solutions were subjected to a moderate sized perturbation and allowed to evolve. The results suggest that both hot and cool loops of the geometry considered are thermally stable against amplitude perturbations of all kinds.

Klimchuk, J. A.↗

NASA NTRS2001

Improved Equivalent Linearization Implementations Using Nonlinear Stiffness Evaluation

This report documents two new implementations of equivalent linearization for solving geometrically nonlinear random vibration problems of complicated structures. The implementations are given the acronym ELSTEP, for "Equivalent Linearization using a STiffness Evaluation Procedure." Both implementations of ELSTEP are fundamentally the same in that they use a novel nonlinear stiffness evaluation procedure to numerically compute otherwise inaccessible nonlinear stiffness terms from commercial finite element programs. The commercial finite element program MSC/NASTRAN (NASTRAN) was chosen as the core of ELSTEP. The FORTRAN implementation calculates the nonlinear stiffness terms and performs the equivalent linearization analysis outside of NASTRAN. The Direct Matrix Abstraction Program (DMAP) implementation performs these operations within NASTRAN. Both provide nearly identical results. Within each implementation, two error minimization approaches for the equivalent linearization procedure are available - force and strain energy error minimization. Sample results for a simply supported rectangular plate are included to illustrate the analysis procedure.

Rizzi, Stephen A.↗

NASA NTRS1992

Reliability of stiffened structural panels: Two examples

The reliability of two graphite-epoxy stiffened panels that contain uncertainties is examined. For one panel, the effect of an overall bow-type initial imperfection is studied. The size of the bow is assumed to be a random variable. The failure mode is buckling. The benefits of quality control are explored by using truncated distributions. For the other panel, the effect of uncertainties in a strain-based failure criterion is studied. The allowable strains are assumed to be random variables. A geometrically nonlinear analysis is used to calculate a detailed strain distribution near an elliptical access hole in a wing panel that was tested to failure. Calculated strains are used to predict failure. Results are compared with the experimental failure load of the panel.

Stroud, W. Jefferson↗

NASA NTRS2021

A Study of Layered Structural Configurations as Thermal and Impact Shielding of Lunar Habitats

The focus of this study is the analysis of a proposed multilayer material configuration as lunar habitat shielding so as to assess its ability to resist temperature extremes and impact. In order to resist this environmental hazard, the analysis will compare various configurations of potential shielding layers using both in-situ resource utilization (ISRU) and Earth-based materials. The technology for implementation of in-situ resources in construction is developing, though not yet able to produce a functional lunar habitat. As the lunar infrastructure is developed, ISRU techniques for manufacturing and construction may become more viable. Therefore, both types of materials are considered due to potential for application towards both near-term and long-term commencements of habitat construction. The thermal analysis in this paper utilizes the nonlinear heat equation to produce a depth-dependent temperature gradient from the habitat exterior to the interior that changes continuously with time during the lunar diurnal cycle. Static loading conditions meant to simulate the impact force of a 77.9 g meteorite were used to analyze the ability of a proposed multilayer shielding configuration to resist impact. A thermal stress analysis was performed to observe the effects of heat transfer through the proposed multilayer configuration. The results of this study should be useful in determining the potential for implementation of efficient shielding layers for the initial lunar base.

Layered systems↗

DOE OSTI2021

Neural Lyapunov Control for Power System Transient Stability: A Deep Learning-Based Approach

We report that power system control and transient stability analysis play essential roles in secure system operation. Control of power systems typically involves highly nonlinear and complex dynamics. Most of the existing works address such problems with additional assumptions in system dynamics, leading to a requirement for a complete and general solution. This paper, therefore, proposes a novel control framework for various power system control and stability problems leveraging a learning-based approach. The proposed framework includes a two-module structure that iteratively and jointly learns the candidate Lyapunov function and control law via deep neural networks in a learning module. Meanwhile, it guides the learning procedure towards valid results satisfying Lyapunov conditions in a falsification module. The introduced termination criteria ensure provable system stability. This control framework is verified through several studies handling different types of power system control problems. The results show that the proposed framework is generalizable and can simplify the control design for complex power systems with the stability guarantee and enlarged region of attraction.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1982

Nonlinear structural and life analyses of a combustor liner

Three-dimensional, nonlinear, finite element structural analyses were performed for a simulated aircraft combustor liner specimen in order to assess the capability of nonlinear analyses using classical inelastic material models to represent the thermoplastic-creep response of the component. In addition, the computed stress-strain history at the critical location was input into life prediction methods in order to evaluate the ability of these procedures to predict crack initiation life. It is concluded that: (1) elastic analysis is adequate for obtaining strain range and critical location; (2) inelastic analyses did not accurately represent cyclic behavior of materials; and (3) none of the crack initiation life prediction methods were satisfactory.

Kaufman, A.↗

NASA NTRS1982

Validation of structural analysis methods using the in-house liner cyclic rigs

Test conditions and variables to be considered in each of the test rigs and test configurations, and also used in the validation of the structural predictive theories and tools, include: thermal and mechanical load histories (simulating an engine mission cycle; different boundary conditions; specimens and components of different dimensions and geometries; different materials; various cooling schemes and cooling hole configurations; several advanced burner liner structural design concepts; and the simulation of hot streaks. Based on these test conditions and test variables, the test matrices for each rig and configurations can be established to verify the predictive tools over as wide a range of test conditions as possible using the simplest possible tests. A flow chart for the thermal/structural analysis of a burner liner and how the analysis relates to the tests is shown schematically. The chart shows that several nonlinear constitutive theories are to be evaluated.

Thompson, R. L.↗

NASA NTRS1992

Mode interaction in stiffened composite shells under combined mechanical and thermal loadings

Stiffened shells of various configurations fabricated out of composite materials find extensive applications in aircraft structures. Two distinctive modes of buckling dominate structural response of stiffened panels, viz. the short-wave local mode in which the shell skin buckles essentially between the stiffeners and the long-wave overall mode in which the shell skin buckles carrying the stiffeners with it. In optimized designs, the critical stresses corresponding to these modes of buckling would be close to each other. This leads to a nonlinear mode interaction which is recognized to be the principal cause of the failure of stiffened structures. If the structure is subjected to through-the-thickness thermal gradients, then large-wave bending effects would begin to occur well below the overall critical load and these would play the role of overall imperfections. The load carrying capacity would be significantly diminished as a result of interaction of local buckling with overall thermal distortions. The analysis of this problem using standard finite element techniques can be shown to be prohibitively expensive for design iterations. A concept which would greatly facilitate the analysis of mode interaction is advanced. We note that the local buckling occurs in a more or less periodic pattern in a structure having regular spacings of stiffeners. Thus it is a relatively simple matter to analyze the local buckling and the second order effects (which are essential for modeling postbuckling phenomena) using a unit cell of the structure. Once analyzed, these dormations are embedded in a shell element. Thus, a shell element could span several half-waves of local buckling and still be able to depict local buckling effects with requisite accuracy. A major consequence of the interaction of overall buckling/bending is the slow variation of the local buckling amplitude across the structure - the phenomenon of 'amplitude modulation' - and this is accounted for in the present model by letting the scaling parameter of the local mode vary according to a 'slowly varying' function. The construction of the analytical model involves essentially two stages and these are described briefly.

Sridharan, Srinivasan↗

NASA NTRS2000

Effective Widths of Compression-Loaded Plates With a Cutout

A study of the effects of cutouts and laminate construction on the prebuckling and initial postbuckling stiffnesses, and the effective widths of compression-loaded, laminated-composite and aluminum square plates is presented. The effective-width concept is extended to plates with cutouts, and experimental and nonlinear finite-element analysis results are presented. Behavioral trends are compared for seven plate families and for cutout-diameter-to-plate-width ratios up to 0.66. A general compact design curve that can be used to present and compare the effective widths for a wide range of laminate constructions is also presented. A discussion of how the results can be used and extended to include certain types of damage, cracks, and other structural discontinuities or details is given. Several behavioral trends are described that initially appear to be nonintuitive. The results demonstrate a complex interaction between cutout size and plate orthotropy that affects the axial stiffness and effective width of a plate subjected to compression loads.

Hilburger, Mark W.↗

NASA NTRS1983

Stability analysis of Centaur-in-Shuttle composite corrugated adapters

This paper evaluates analytically the structural integrity of discretely-loaded, graphite-epoxy, corrugated adapters for the Centaur-in-Shuttle, where combined compression and shear are the critical loads involved. With normal build-ups in the thickness at load introduction boundaries, the structural integrity for both compression and shear buckling was little (or not al all) affected by the discrete load introductions. The analytical tool employed was the STAGSC computer code, and both bifurction buckling and nonlinear collapse options were used; the latter option was limited to shear since postbuckling strength in compression for plate-type structures is governed by crippling strengths, which is not attainable by existing computer codes.

Spier, E. E.↗

NASA NTRS1985

Nonlinear dynamic analysis of deploying flexible space booms

The dynamics of the planar deployment and lock-up of two flexible boom-type appendages on a spacecraft are analyzed by establishing nonlinear equations of motion for the deployment phase and linear for the post-lock-up phase. Nondimensional parameters and threshold values are identified in terms of boom tip deflections, deployment time and root moments for appendages with tip masses attached to a central rigid body through a rotational spring; an account is taken of the nonlinear kinematic and structural terms. It was found that, in general, the solution is influenced only by two mass ratios and one nondimensional stiffness parameter.

Mcgowan, P. E.↗

DOE OSTI2020

Correlation between the temperature evolution of the interfacial region and the growing dynamic cooperativity length scale

Here, we study experimentally the temperature evolution of the thickness of the interfacial layer, L int (T), between bulk matrices and the surface of nanoparticles in nanocomposites through broadband dielectric spectroscopy. Analyses revealed a power-law dependence between the logarithm of structural relaxation time in the interfacial layer, τ int (T), and the L int (T): ln τ i n t ( T ) / τ 0 ∝ L i n t β ( T ) / T , with τ 0 ~ 10 –12 s, and β index ~0.67 at high temperatures and ~1.7 at temperatures close to the glass transition temperature. In addition, our analysis revealed that the L int (T) is comparable to the length scale of dynamic heterogeneity estimated from previous nonlinear dielectric measurements and the four-point NMR [ξ NMR (T)], with L int (T) ~ ξ NMR (T). These observations may suggest a direct correlation between the L int (T) and the size of the cooperatively rearranging regions and have strong implications for understanding the dynamic heterogeneity and cooperativity in supercool liquids and their role in interfacial dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Room Temperature Quasi-static Characterization and Constitutive Model Parametrization of Flexible Polyurethane Foams of Different Densities Loaded in Different Orientations

This report describes the efforts to characterize and model General Plastics TF6070 and EF4000 flexible polyurethane foams under room temperature, large deformation quasi-static cyclic mechanical loading conditions. Densities from three to fifteen pound per cubic foot (PCF) are examined, which correspond to relative densities of approximately 4 to 20%. These foams are open cell structured and flexible at room temperature with a glass transition transition less than -30°C, and they fully recover their original shape when unloaded (at room temperature). Uniaxial compression tests were conducted with accompanying lateral image series for Digital Image Correlation (DIC) analysis with the goal of extracting transverse strain responses. Due to difficulties with DIC analysis at large strains, lateral strains were instead extracted for each test via edge tracking. The experimental results exhibit a nonlinear elastic response and anisotropic material behavior (particularly for the lower densities). Some hysteresis is observed that is different between the first and subsequent cycles of deformation indicating both a small degree of permanent damage (reduced stiffness during reloading) and viscoelasticity. These inelastic mechanisms are not considered in the modeling and calibration in this report. This work considers only the rate independent, room temperature foam behavior. Individual foam densities were calibrated for loading in two directions, parallel and perpendicular to the foam bubble rise direction, since the mechanical behavior is different in these two directions. The Flex Foam constitutive model was used for all parameterizations despite the fact that the model is isotropic. A review of the constitutive model is given as well as necessary data reduction procedures to parameterize it for each foam density and orientation are discussed. Finally, two different parameterizations are developed that take the undeformed foam density as an input that span all densities considered. These two parameterized models represent foams loaded in the rise and transverse directions respectively. We summarize the assumptions and limitations of the parameterizations provided in this report to guide analysis choices with them. All parameterizations presented herein have the following traits, room temperature, rate independent, damage-free, and non-dissipative . Isotropy (even if they are representing anisotropic data). Supplied Sierra Solid Mechanics Flex Foam Model Inputs are in units: pounds, inches, Celsius, and seconds

36 MATERIALS SCIENCE↗

NASA NTRS1978

CODSTRAN - Composite durability structural analysis

CODSTRAN (COmposite Durability STRucture ANalysis) a NASA Lewis Center computer program for the prediction of defect growth and fracture of composite structures when subjected to service loads is presented. Organization, capabilities and present status are discussed. Organizational aspects include executive, input, output, analysis and composite mechanics modules. Capabilities include: durability assessment of large structures and complex structural parts from composites, structural response due to static, cyclic, transient impact and thermal loads, and criteria for static, cyclic, and dynamic fracture. At the present state of development some of CODSTRAN's analysis capabilities include composite mechanics, static failures, and lamination residual stresses. An application in which CODSTRAN is used to predict the defect growth in a flat specimen, with a center through-slit under tension is studied. When completed, CODSTRAN will account for geometry and material nonlinearities, environmental effects as well as static, cyclic and dynamic fracture.

Chamis, C. C.↗

NASA NTRS1989

Efficient Computation Of Behavior Of Aircraft Tires

NASA technical paper discusses challenging application of computational structural mechanics to numerical simulation of responses of aircraft tires during taxing, takeoff, and landing. Presents details of three main elements of computational strategy: use of special three-field, mixed-finite-element models; use of operator splitting; and application of technique reducing substantially number of degrees of freedom. Proposed computational strategy applied to two quasi-symmetric problems: linear analysis of anisotropic tires through use of two-dimensional-shell finite elements and nonlinear analysis of orthotropic tires subjected to unsymmetric loading. Three basic types of symmetry and combinations exhibited by response of tire identified.

Tanner, John A.↗