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DOE OSTI2020

Relating Texture and Thermomechanical Processing Variables in Mg–Zn–Ca Alloys

It is well known that the strong basal texture commonly produced in magnesium alloy sheets leads to poor formability at room temperature. A sizable body of work has explored how changing the alloy composition and rolling conditions can yield more desirable textures; however important thermomechanical variables, such as the feed rate during rolling, are often not included in the literature, making it difficult to correlate how changes in processing affect the final crystallographic texture. This work explores the texture evolution and grain refinement in Mg-Zn-Ca alloys during plane strain compression (PSC) using a Gleeble thermomechanical simulator. This instrument allows for precise control and capture of the thermomechanical history of the sample. The texture and grain morphology of the compressed samples were characterized using Electron Backscatter Diffraction (EBSD). The texture results will be used to identify which alloys and processing conditions should be scaled up for future rolling studies.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Measuring thermomechanical response of large-format printed polymer composite structures via digital image correlation

Large-format additive manufacturing (LFAM) is a branch of additive manufacturing (AM) research with the ability to create large structures typically measuring several meters in scale. LFAM is advantageous for tooling applications, not only because it offers the ability to create complex geometries not easily made using subtractive manufacturing processes, but the cost savings of pelletized feedstock used by these systems result in larger parts printed at faster speeds than traditional AM systems. Fiber reinforced polymer (FRP) is a commonly used feedstock material in LFAM structures because it reduces the distortion experienced during printing. However, FRP introduces highly anisotropic thermomechanical properties and contributes to a nonhomogeneous microstructure that can result in critical distortion of dimensions during tooling. Measuring the global thermomechanical response of LFAM structures requires a more representative method that accounts for not only anisotropic properties but also the nonhomogeneous nature of the final part. This is where traditional techniques to measure thermomechanical response, such as thermomechanical analysis (TMA), fall short as they assume homogeneity. This study evaluated the coefficient of thermal expansion (CTE) of LFAM structures as measured by TMA as compared to a novel digital image correlation oven (DIC Oven) system. The LFAM structures were made from 20 % by weight carbon fiber reinforced acrylonitrile butadiene styrene (CF-ABS). TMA measurements showed significant variations in CTE across a single LFAM bead, confirming the need for a global technique that captures overall thermomechanical response. The CTE values measured using the DIC Oven compared well to average TMA values obtained from localized measurements across the sample. The DIC Oven was also used to quantify the effects of different layer orientations on thermomechanical properties, which cannot be easily captured using TMA. A predictive model was also developed by using localized TMA values across an LFAM bead to predict the overall thermomechanical response of an LFAM structure.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Control of High-Temperature Static and Transient Thermomechanical Behavior of SiMo Ductile Iron by Al Alloying

Abstract Silicon and molybdenum ( SiMo ) ductile iron is commonly used for exhaust manifolds because these components experience thermal cycling in oxidizing environment, which requires resistance to fatigue during transient thermomechanical loads. Previous studies have demonstrated that alloying elements, such as Al , to SiMo ductile iron reduces the amount of surface degradation during static high-temperature exposure. However, deterioration of sphericity of the graphite nodules and a decrease in ductility could affect the tendency of cracking during thermal cycling. In this article, the effect of Al alloying on static and transient thermomechanical behavior of SiMo ductile iron was investigated to optimize the amount of Al alloying. A thermodynamic approach was used to confirm the effect of the Al alloying on the phase transformations in two SiMo cast irons, alloyed by 1.8% Al and 3% Al . These two alloys were cast in a laboratory along with the baseline SiMo ductile iron. Several experimental methods were used to evaluate the dimensional stability, physical properties, static oxidation, and failure resistance during constrained thermal cycling testing to compare their high-temperature capability. Experimental results verified that Al alloying increases the temperature range and decreases volume change during eutectoid transformation, which together with enhancement of oxidation protection improved the dimensional stability. Thermocycling tests showed that the number of cycles to failure depends on the amount of Al alloying and the applied high-temperature exposure during each cycle. SEM/EDX, high-resolution TEM and µCT analysis were used to verify the mechanism resulting from the Al alloying protection. It was shown that an optimal level of Al alloying for balancing oxidation and thermal cracking resistance depends on thermomechanical conditions of application.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Thermomechanical Modeling and Analysis of a High-Temperature Light Trapping Planar Cavity Receiver

Solar energy harnessed through concentrating solar power (CSP) systems offers a promising path to sustainable energy production, with the efficiency and longevity of these systems relying on key components like solar receivers. This study analyzes the thermomechanical behavior of an innovative enclosed light-trapping solar receiver optimized for particle heating applications. The receiver utilizes sheet metal alloys to form enclosed cavities that reflect and trap incoming solar flux, as well as enclosed channels that contain fluidized particle beds absorbing solar heat. Finite element analysis (FEA) is applied to predict the receiver's thermomechanical performance under extreme solar flux conditions. Temperature distributions from a thermal model simulating a multi-panel assembly at steady state are input into the FEA thermomechanical model for stress analysis. A key aspect of the analysis focuses on evaluating creep-fatigue damage, with a design target of achieving a 30- year service life. Various stress relief techniques are also proposed to extend the receiver's service life. The results highlight the significant impact of the particle-to-wall heat transfer coefficients (HTCs), ranging from 800 W/m2*K to 1400 W/m2*K. The 800 W/m2*K case shows a maximum von Mises stress of 164 MPa, while the 1400 W/m2*K case reduces it to 150 MPa. The creep life increases from 4,000 hrs in the 800 W/m2*K case to over 100,000 hrs in the 1400 W/m2*K case with Inconel 740H used, indicating that higher HTCs reduce stress and extend lifespan. This research advances the design of high-efficiency, low-stress solar receivers for particle-based thermal energy storage in CSP and industrial heating applications.

concentrating solar power↗

DOE OSTI2021

Thermomechanical fatigue resistance of low temperature solder for multiwire interconnects in photovoltaic modules

Novel interconnect technologies leveraging low melting temperature solders, such as multiwire interconnects, are being deployed in photovoltaic (PV) modules for improved reliability through interconnect redundancy and lower thermal loads during interconnection and lamination. However, the equivalency of standardized accelerated testing to field conditions has not yet been established for these emerging technologies. In this study, the thermomechanical fatigue resistance of low temperature solder alloys is investigated and compared to that of conventional SnPb to assess the acceleration behavior of these alloys. While InSn is shown to have sufficient thermomechanical fatigue resistance on the order of that of SnPb, these results indicate Sn–Bi alloys may have poor thermomechanical fatigue resistance at field conditions. The results also show that Sn–Bi alloys have thermal cycling acceleration factors of less than one. This indicates that the standardized accelerated thermal cycling test, such as that in IEC 61215, will produce misleading results for Sn–Bi alloys and that unique testing is required for this PV module architecture. Though accelerated thermal cycling may be a meaningful qualification test for SnPb solder joints, these results suggest that mechanical loading may be a more appropriate test for Sn–Bi multiwire interconnects. This is due to the distinct processing and geometry of multiwire interconnects which may allow for mechanical, rather than strictly metallurgical interconnections.

14 SOLAR ENERGY↗

DOE OSTI2025

Deconvoluting thermomechanical effects in X-ray diffraction data using machine learning

X-ray diffraction is ideal for probing the sub-surface state during complex or rapid thermomechanical loading of crystalline materials. However, challenges arise as the size of diffraction volumes increases due to spatial broadening and because of the inability to deconvolute the effects of different lattice deformation mechanisms. Here, we present a novel approach that uses combinations of physics-based modeling and machine learning to deconvolve thermal and mechanical elastic strains for diffraction data analysis. The method builds on a previous effort to extract thermal strain distribution information from diffraction data. The new approach is applied to extract the evolution of the thermomechanical state during laser melting of an Inconel 625 wall specimen which produces significant residual stress upon cooling. A combination of heat transfer and fluid flow, elasto-plasticity and X-ray diffraction simulations is used to generate training data for machine-learning (Gaussian process regression, GPR) models that map diffracted intensity distributions to underlying thermomechanical strain fields. First-principles density functional theory is used to determine accurate temperature-dependent thermal expansion and elastic stiffness used for elasto-plasticity modeling. The trained GPR models are found to be capable of deconvoluting the effects of thermal and mechanical strains, in addition to providing information about underlying strain distributions, even from complex diffraction patterns with irregularly shaped peaks.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Thermomechanical Microstructural Predictions of Fracture Nucleation of Zircaloy-4 Alloys With δ and ε Hydride Distributions

Abstract A crystalline dislocation-density formulation that was incorporated with a nonlinear finite-element (FE) method was utilized to understand and to predict the thermomechanical behavior of an hexagonal closest packed (h.c.p.) zircaloy system with hydrides with either face-centered cubic (f.c.c.) or body-centered cubic (b.c.c.) hydrides. This formulation was then used with a recently developed fracture methodology that is adapted for finite inelastic strains and multiphase crystalline systems to understand how different microstructurally based fracture modes nucleate and propagate. The interrelated microstructural characteristics of the different crystalline hydride and matrix phases with the necessary orientation relationships (ORs) have been represented, such that a detailed physical understanding of fracture nucleation and propagation can be predicted for the simultaneous thermomechanical failure modes of hydride populations and the matrix. The effects of volume fraction, morphology, crystalline structure, and orientation and distribution of the hydrides on simultaneous and multiple fracture modes were investigated for radial, circumferential, and mixed distributions. Another key aspect was accounting for temperatures changes due to the effects of thermal conduction and dissipated plastic work and their collective effects on fracture. For hydrided aggregates subjected to high temperatures, thermal softening resulted in higher ductility due to increased dislocation-density activity, which led to higher shear strain accumulation and inhibited crack nucleation and growth. The predictions provide validated insights into why circumferential hydrides are more fracture-resistant than radial hydrides for different volume fractions and thermomechanical loading conditions.

Engineering↗

DOE OSTI2021

Meshfree simulation and experimental validation of extreme thermomechanical conditions in friction stir extrusion

Abstract Friction stir extrusion (FSE) is a novel solid-phase processing technique that consolidates and extrudes metal powders, flakes, chips, or billets into high-performance parts by plastic deformation, which has the potential to save substantial processing time and energy. Currently, most studies on FSE are experimental and only a few numerical models have been developed to explain and predict the complex physics of the process. In this work, a meshfree simulation framework based on smoothed particle hydrodynamics (SPH) was developed for FSE. Unlike traditional grid-based methods, SPH is a Lagrangian particle-based method that can handle severe material deformations, capture moving interfaces and surfaces, and monitor the field variable histories explicitly without complicated tracking schemes. These aspects of SPH make it attractive for the FSE process, where in situ evolution of field variables is difficult to observe experimentally. To this end, a 3-D, fully thermomechanically coupled SPH model was developed to simulate the FSE of aluminum wires. The developed model was thoroughly validated by comparing the numerically predicted material flow, strain, temperature history, and extrusion force with experimental results for a certain set of process parameters. The validated SPH model can serve as an effective tool to predict and better understand the extreme thermomechanical conditions during the FSE process.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

Modulated Thermomechanical Analysis of Compression-Molded High-Density Polyethylene

Thermomechanical analysis (TMA) experiments conducted on high-density polyethylene (HDPE) show both reversible and irreversible dimensional changes. To further explore these reversible and irreversible processes, modulated thermomechanical analysis (MTMA) was used. Before reliable data on compression-molded HDPE was collected, a parameter optimization was performed to obtain a suitable MTMA method. Once a suitable method was obtained, several MTMA experiments were conducted on compression-molded HDPE. This work highlights the steps taken during the MTMA parameter optimization and the results obtained from MTMA experiments conducted on pristine compression-molded HDPE samples.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Coupling Thermomechanical Processing and Alloy Design to Improve Textures in Mg-Zn-Ca Sheet Alloys

Abstract The effect of Ca and Zn additions on the microstructure and texture evolution during thermomechanical processing of Mg-Zn-Ca sheet alloys was systematically investigated and quantified. Plane strain compression testing in a Gleeble thermomechanical simulator was used to physically simulate a 10-pass rolling schedule, while allowing for careful control and monitoring of the processing parameters. Textures in the as-deformed ternary alloy samples demonstrate a weak maximum basal intensity and spreading in the transverse direction. Increasing the Zn content to 3.2 wt.% in the ternary alloys resulted in samples that exhibited weak textures in the as-deformed state. Importantly, static recrystallization (SRX) during post-deformation annealing of these alloys promoted a desirable annular texture, with the c -axis tipped from the normal direction and a lower basal texture intensity. The evolution in texture during SRX is associated with as-deformed microstructures with broad grain orientation spreads and a low degree of recrystallization.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Analyzing the impact of design factors on solar module thermomechanical durability using interpretable machine learning techniques

Solar modules in utility-scale systems are expected to maintain decades of lifetime to rival conventional energy sources. However, cyclic thermomechanical loading often degrades their long-term performance, highlighting the importance of effective design to mitigate thermal expansion mismatches between module materials. Given the complex composition of solar modules, isolating the impact of individual components on overall durability remains a challenging task. In this work, we analyze a comprehensive data set that comprises bill-of-materials (BOM) and thermal cycling power loss from 251 distinct module designs to identify the predominant design factors and their impacts on the thermomechanical durability of modules. The methodology of our analysis combines machine learning modeling (random forest) and Shapley additive explanation (SHAP) to correlate design factors with power loss and interpret the model’s decision-making. The interpretation reveals that silicon type (monocrystalline or polycrystalline), encapsulant thickness, busbar numbers, and wafer thickness predominantly influence the degradation. With lower power loss of around 0.6% on average in the SHAP analysis, monocrystalline cells present better durability than polycrystalline cells. This finding is further substantiated by statistical testing on our raw data set. The SHAP analysis also demonstrates that while thicker encapsulants lead to reduced power loss, further increasing their thickness over around 0.6 to 0.7 mm does not yield additional benefits, particularly for the front side one. In addition, other important BOM features such as the number of busbars are analyzed. This study provides a blueprint for utilizing explainable machine learning techniques in a complex material system and can potentially guide future research on optimizing the design of solar modules.

14 SOLAR ENERGY↗

DOE OSTI2021

Thermomechanical and sequential stress performance of photovoltaic backsheets

Photovoltaic backsheet technology is utilized to protect the interior components of solar modules from environmental stress as well as provide electrical insulation to the module. The growing demand for solar energy and longer module service life requirements have brought backsheet performance into focus. Despite being a protective packaging material, many backsheets have exhibited failure in the field, limiting the performance and service life of entire modules. Most backsheets consist of multiple polymeric layers laminated together using adhesives. A new backsheet, with a high performance polyamide structure, has been developed as the solution to module failure. Primarily, it contains a unique polyamide-ionomer alloy targeted at improved weather resistance. In this study, several photovoltaic industry standard backsheets, and the novel polyamide compositions of multilayered backsheets fabricated from the coextrusion process, were examined using thermomechanical analysis (TMA). The coefficient of thermal expansion (CTE) for entire backsheets and their constituent layers was used to model the thermomechanical behavior of various backsheet constructions. Subsequently, thermal cycling was performed in the TMA to examine the intrinsic thermal behavior of the backsheets. Thermal cycling in the TMA indicates the resilience and dimensional stability in the coextruded structures as opposed to the laminated structures. Lastly, results from a Module Accelerated Sequential Testing (MAST), are included to show the mechanical integrity of these backsheets after sequential exposure to stressors including damp heat, ultra-violet (UV) light radiation, and thermal cycling. The laminate backsheets deteriorated extensively after sequential exposure to these stressors, while the novel coextruded structures retained their physical properties.

14 SOLAR ENERGY↗

DOE OSTI2026

Thermomechanical analysis and modeling of a high-temperature light trapping planar cavity solar receiver

The development of durable particle-based high-temperature solar receivers is critical for advancing concentrating solar-thermal (CST) technologies to enable high-efficiency power generation and industrial process heat. Here, this study presents a computational framework to evaluate the thermomechanical performance of a proposed enclosed light-trapping planar cavity receiver designed for particle-based thermal energy systems. The receiver incorporates absorptive cavities and fluidized particle-bed channels to enhance heat capture and reduce thermal losses. Finite element analysis (FEA) is employed to assess stress, strain, and creep-fatigue behavior under concentrated solar flux using realistic thermal boundary conditions derived from coupled system models and experimental assembly parameters. The analysis investigates the influence of particle-to-wall heat transfer coefficients (HTC) ranging from 800 to 1800 W/m 2 .K on the thermomechanical response of six candidate high-temperature alloys: Alloy 740H, Alloy 282, Alloy 617, 316H, Alloy 230, and 800H. Results show that increasing HTC reduces thermal gradients, leading to lower stresses and strains and extended minimum predicted creep life. While all materials satisfy fatigue life requirements under the investigated conditions, significant differences in creep resistance are observed. Alloy 740H consistently exhibits the longest minimum predicted creep life and the most favorable durability margins, followed by Alloy 282, with the remaining materials showing reduced creep resistance under identical loading. The reported creep lives are conservative lower-bound estimates intended for comparative material evaluation. This framework highlights the critical roles of material selection and geometry optimization in improving mechanical durability and reliability of solar-thermal receivers, forming a foundation for future experimental validation and design optimization.

14 SOLAR ENERGY↗

DOE OSTI2024

Designing metal halide perovskite solar modules for thermomechanical reliability

There is a significant deficiency in perovskite solar module (PSM) stability under thermomechanical stressors which is not well-understood. In this perspective, common issues seen with perovskite solar cell device fabrication related to thermomechanical reliability of PSM processing are discussed, with a focus on how the robustness of device layers and interlayer adhesion can be improved. Film stresses, adhesion of charge transport layers, and instability under light and heat are discussed with the purpose of providing insight on designing PSMs for durability. Processing conditions of encapsulation of PSMs and critical parameters to consider are also examined, and accelerated testing protocols for PSMs are discussed that probe mechanical degradation modes and ensure reliability of devices in the field.

14 SOLAR ENERGY↗

DOE OSTI2025

Cleavable Strand‐Fusing Cross‐Linkers as Additives for Chemically Deconstructable Thermosets with Preserved Thermomechanical Properties

Abstract Permanently cross‐linked polymer networks—thermosets—are often difficult to chemically deconstruct. The installation of cleavable bonds into the strands of thermosets using cleavable comonomers as additives can facilitate thermoset deconstruction without replacement of permanent cross‐links, but such monomers can lead to reduced thermomechanical properties and require high loadings to function effectively, motivating the design of new and optimal cleavable additives. Here, we introduce “strand‐fusing cross‐linkers” (SFCs), which fuse two network strands via a four‐way cleavable cross‐link. SFCs enable deconstruction of model polydicyclopentadiene (pDCPD) thermosets with as little as one‐fifth of the molar loading needed to achieve deconstruction using traditional cleavable comonomers. SFCs function under traditional oven curing as well as low‐energy frontal ring‐opening metathesis polymerization (FROMP) conditions and lead to improved thermomechanical properties, for example, glass transition temperatures, compared to prior cleavable comonomer designs. This work motivates the development of increasingly improved cleavable additives to enable thermoset deconstruction without compromising material performance.

Zhang, Shuyi [Department of Chemistry Massachusett↗

DOE OSTI2025

Cleavable Strand‐Fusing Cross‐Linkers as Additives for Chemically Deconstructable Thermosets with Preserved Thermomechanical Properties

Zhang, Shuyi [Department of Chemistry Massachusett↗

DOE OSTI2025

Multiscale investigation of thermomechanical and compositional developments in Ni alloy 718 under laser processing

Laser processing has been widely employed in various applications due to its exceptional spatial resolution. However, the rapid temperature gradients generated in localized areas present significant challenges for experimental characterization using conventional instruments. To characterize Ni alloy 718 during laser processing, we employed in-situ synchrotron X-ray diffraction with a high-speed detector, a method particularly well-suited for probing processes with high temporal and spatial resolution. Through a series of in-situ experiments, we investigated the local variations in the evolution of microstructures and thermomechanical behaviors within a keyhole mode melt pool. The in situ macroscopic thermomechanical behaviors were quantified using an empirical model derived from diffraction patterns, with experimental results showing reasonable agreement with finite element analysis. Various laser parameters were tested to assess their influences on the residual strains in the melt pools. The results revealed that the residual strain in the keyhole mode melt pool is relatively insensitive to variations in the parameters and is smaller than that in the melt pool created under conduction mode laser scanning. Additionally, we analyzed the shapes of individual diffraction spots, providing insights into the plastic behaviors and compositional developments in the resolidified alloy. The analysis confirmed that compositional variations in a dendritic microstructure manifest as asymmetric broadening of the diffraction spots.

Ni alloy 718↗

DOE OSTI2025

Thermomechanics coupling to Monte Carlo particle transport on unstructured mesh geometries using Cardinal

Geometry deformation due to thermal expansion influences neutron transport in many systems. Studying this phenomenon involves coupling models for neutronics, thermal hydraulics, and solid mechanics. To enable high fidelity modeling of these coupled physics, new capabilities were introduced in Cardinal, coupling OpenMC Monte Carlo particle transport models with MOOSE thermomechanical physics on unstructured moving-mesh geometries. In this work, we present a fully open-source capability leveraging on-the-fly mesh skinning to automatically regenerate OpenMC geometry, which allows multiphysics feedback from temperature, density, and geometry changes. The new capability is verified using an analytic benchmark slab problem, which couples S 2 neutron transport with thermal conduction, convective boundary conditions, Doppler-broadened cross sections, and nonlinear thermal expansion effects along the heated slab. Cardinal reproduces the analytic solutions for the neutron flux, heating, k eff , and temperature with demonstrated convergence in various error terms including mesh resolution and cross section temperature library spacing. For the nominal benchmark conditions and with a fine mesh, maximum relative errors for neutron flux, temperature, and heating are lower than 1%, while errors in integral quantities such as k eff and slab length are within 1 pcm and 48 µm, respectively. This work (i) presents a new numerical approach to thermomechanics coupling with OpenMC models, (ii) is the first (to our knowledge) to utilize a mechanical partial differential equation (PDE) solution to solve the (Griesheimer and Kooreman, 2022) analytic benchmark, and (iii) develops this verified capability within an open-source package.

97 - MATHEMATICS AND COMPUTING↗