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DOE OSTI2021

In-situ digital image correlation and thermal monitoring in directed energy deposition additive manufacturing

As in welding, directed energy deposition (DED) additive manufacturing (AM) generates complex residual stresses and distortions commensurate with the complexity of the scan pattern used for deposition. To date, measuring DED distortions on complex geometries has only been achieved post process, discarding the complex thermomechanical history that leads to that final material state. In this work, surround stereo digital image correlation (DIC) is used to 3D map surfaces and strain tensors in-situ in a powder-blown laser DED system. Infrared thermography is then projected onto these surfaces to record the full thermomechanical history of printed parts. DIC presents a unique challenge to DED AM, as no part exists at the beginning of deposition, which (a) prevents application of an appropriate speckle pattern and (b) denies the user a zero strain reference frame. Solutions to these problems are proposed and their limitations explored herein. In sum, this work presents a relatively low-cost solution to monitoring and optimizing the unique temporal artifacts induced by complex scan strategies that was previously unobtainable.

42 ENGINEERING↗

DOE OSTI2021

In Situ High Energy X-ray Diffraction Characterization of Phase Transformations and Mechanical Behaviors in Rapidly Solidified Titanium and Stainless Steel Alloys [Thesis]

Advanced manufacturing techniques like additive manufacturing (AM) have poised themselves to revolutionize metal manufacturing. A wide range of AM techniques are capable of manufacturing metal components with unique, complex geometries and hastening the scientific-engineering-development cycle. Metal AM relies on a layer-by-layer rapid manufacturing process to build components from the substrate up. Rapid solidification is a large departure from traditional metal manufacturing due to its complex physics. Characterization of rapid solidification is difficult, stemming from the small volumes used in AM and the fast dynamics of the process. High energy X-ray diffraction (HEXRD) is a solution to the characterization problems of rapidly solidified alloys and AM. HEXRD can probe small volumes at fast rates and provides a wide range of thermomechanical and kinetic information. This thesis presents the application of HEXRD to rapidly solidified titanium and stainless steel alloys through a series of case studies. In the first two studies, HEXRD is applied to rapidly solidified titanium and stainless steel welds. The materials are characterized for their temperature history, phase changes, kinetics, and microstructural evolution. In the next case study, HEXRD is applied to characterize phase changes in elastocaloric NiTi shape memory alloys (SMAs) under thermomechanical load. HEXRD, in conjunction with other tools, is used to explain the superior performance of the additively manufactured SMAs. In the final two case studies, HEXRD is used to measure the mechanical response of AM parts with complex geometries; namely, the octet truss lattice. Diffraction reveals a wide range of materials information about the AM microstructure including unexpected phases, texture, and mechanical response to loading. The mechanical results from HEXRD and then compared with theoretical predictions about the performance of octet truss lattices. Summarily, HEXRD is a diverse tool that is poised to address the complex characterization problems of many aspects of the additive manufacturing process.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Dimensional stability of low-cost thermoplastic composite molds

This report addresses a key question for using additively manufactured tooling from carbon fiber reinforced thermoplastic composites. How does the distortion of the molded part change with the print orientation used in the manufacture of tooling? The objective of this research was to discuss the distortion of parts molded with such tooling, in relation to the deflections in the tooling during the compression molding process. This was achieved through both model simulations and experimental molding runs. A vertical orientation was used in printing the mold with a distinctly non-planar surface: this orientation allowed for higher performance along the press closing direction -- higher thermal conductivity, higher stiffness, and lower coefficient of thermal expansion. Epoxy-carbon fiber twill weave fabric prepreg was then compression molded in this mold. The thermomechanical properties of the tooling material and the molded part were measured and used in simulation of mold deformation as well as part distortion. The thermomechanical anisotropy of the mold is quite different from that of the molded part because in the mold, the stiffest direction is the z-axis, while in the molded thermoset part, the z-axis is the weakest direction. The connection between mold deformation during the compression molding process and the final part distortion can be seen from the simulation results. The simulation results for the case where the mold was four times as stiff as the part along the press closing direction compared well with experiment. When the mold stiffness was lowered in relation to the part stiffness, the mold deformation during the compression molding increased; but this led to a smaller extent of part distortion.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Maximizing Scrap Recycling by Designing Cu Tolerant Steel Compositions

Residual elements from scrap steel recycling, most notably copper, are known to result in hot shortness during thermomechanical processing and casting. As the concentration of copper and other residuals in steel scrap streams increases, Electric Arc Furnace (EAF) scrap recycling heats commonly use pig iron to dilute residuals below current limits. This work focuses on establishing residual element tolerant compositions and concomitant processing windows that can simultaneously mitigate issues from residuals during thermomechanical processing and, if possible, use these residuals to improve properties, yielding a more sustainable steel manufacturing pathway with a substantially smaller carbon footprint.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Status Update on the Development of Transducers and Bonding Techniques for Enabling Acoustic Measurements of Damage in Microreactor Components

This report provides an overview of potential sensors and sensor-bonding techniques to enable the online acoustic interrogation of microreactor components and enhance structural health monitoring capabilities. The report focuses primarily on optical fiber–based acoustic sensors and describes initial experimental progress toward the deployment of these sensors for microreactor applications. The general approach is to monitor the resonant frequencies of microreactor components and search for evidence of structural defects that could indicate imminent failure. If properly identified, then the components could be repaired during the next reactor outage to prevent costly unplanned shutdowns. The ability to monitor the structural health of components could also reduce the need for time-consuming visual inspections and reduce staffing to improve microreactor economic viability. Increased sensor density is also one of the first steps to moving toward eventual semiautonomous operation. The expected microreactor conditions in which acoustic sensors must survive are characterized, including temperatures, neutron fluences, thermomechanical strains, and vibrational frequencies. Optical fiber–based acoustic sensors are identified as an attractive candidate for acoustic monitoring because of their high accuracy, immunity to electromagnetic interference, and resiliency in high-temperature, high-radiation environments. Optical fiber–based intrinsic sensors, such as type-II fiber-Bragg gratings and Fabry-Pérot Cavities (FPCs), are particularly attractive for a microreactor environment because of their high temperature stability, and FPCs also enable higher frequency interrogation with a lower sensitivity to radiation-induced drift. This report describes multiple interrogation systems, but the best interrogation system for a given situation will depend on the specific microreactor application, including the desired acoustic vibrational amplitudes, modes, and resonant frequencies. Initial experiments included fabricating three FPCs, tack-welding these FPCs to stainless-steel pipes or rods and performing room-temperature acoustic sensing tests to capture the vibrational frequency content. Peaks were identified in the measured frequency spectra and compared with the theoretical fundamental frequencies obtained from Euler-Bernoulli beam theory. Two of the three FPCs measured vibrational frequencies that generally matched those obtained from theory. Future work will include similar testing on pipes or other microreactor components with intentional flaws to evaluate the ability to determine changes in resonant frequencies. Finally, these tests will be repeated at high temperatures, potentially with an applied thermomechanical stress, to include environmental conditions similar to those for a microreactor application.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Hot Forging Options for Thick Castings

Uranium alloyed with 10 wt% molybdenum (U-10Mo) is a monolithic nuclear fuel relevant to the National Nuclear Security Administration’s nonproliferation efforts. Research has been underway to optimize processing techniques for the U-10Mo fuel. This study investigated the use of hot compression or “hot forging” on a thick (~1") cast and homogenized U-10Mo plate before standard hot and cold rolling procedures. After plates were cast and homogenized, six samples were cut and forged at 700°C at a strain rate of either 0.10 s –1 or 0.01 s –1 at six levels of reduction. After forging, all samples underwent hot and cold rolling followed by annealing to achieve a final foil thickness of about 0.0085". Samples were taken at each stage of the casting and thermomechanical processing to assess the microstructural evolution. Chemical composition, microstructure, and uranium carbide morphology are presented and assessed in this study. Upon hot forging, dislocations accumulate along the grain boundaries, which serve as nucleation sites for randomly oriented, strain-free grains during subsequent annealing steps. Hot forging and subsequent annealing produced very heterogeneous grain sizes. However, no molybdenum segregation was observed after forging. No obvious trend was observed between forging conditions (strain rate and reduction percentage) and the microstructure after final thermomechanical processing. Upon hot rolling to 0.04" and annealing (700°C for 45 min), the average grain diameters from OM was 17 ± 2 µm across the six different forged samples. The subsequent cold rolling to 0.0085" and then annealing (700°C for 45 min) resulted in an average of 13 ± 2 µm between the six samples. Thus, the starting, as-forged microstructure did not appear to significantly influence the final microstructure of the cold-rolled foil. These results will help with understanding and expanding hot working capabilities for thicker U-10Mo castings. They also provide useful information on the effects of hot forging and its potential use to minimize defects that can arise during subsequent hot and cold rolling procedures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Development of Additive Manufacturing for Ceramic Matrix Composite Vanes

This report discusses the development of additive manufacturing for polymer-derived ceramic materials to create novel cooled gas turbine airfoils made from ceramics. Gas turbine engines have extremely high temperatures in the hot section of the engine that exceed the melting point of nickel superalloy materials that the engine is made from. Advanced cooling technologies have been developed over decades for metallic parts. Ceramic materials have higher temperature capabilities than superalloys, but are difficult to shape in the complex designs used in modern turbines. Several thrusts were investigated during the project, including development of higher material strength resins, improvement of ultraviolet (UV) photopolymerization and post-processing techniques to increase survivability of ceramic parts, thermomechanical modeling of novel ceramic airfoil designs for higher cooling effectiveness, and experimental validation of the modeling and manufacturing in a turbine vane test facility at nondimensional conditions that are relevant to modern gas turbines. Some major findings of the work include a significant increase in ceramic survivability during pyrolysis (a high temperature process that converts the organic material to a ceramic) by adjusting the composition ratios of the resins, as well as a tolulene soak after printing to remove unreacted polymer material. Thermomechanical optimization of the internal cooling structure indicated that a high density pin fin array would enable an 80% increase in overall cooling effectiveness relative to a baseline geometry, which was later verified during experimental testing in a high speed linear cascade. Ceramic vanes were tested at Mach numbers of up to 0.9 which is relevant to modern gas turbines. High temperature capability of the ceramic vanes was not tested in this work.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Bayesian Calibration of Nuclear Graphite Property Models Accounting for Model Inadequacy and Impacts on Component Performance

Nuclear-grade structural graphite is extensively utilized in the core designs of various advanced nuclear reactors. In the reactor environment, graphite is subjected to prolonged exposure to extreme conditions, including high temperatures, radiation, and potentially molten salt and oxygen. Such exposure can induce several degradation mechanisms in graphite, including nonuniform volumetric strains caused by irradiation and thermal expansion, leading to stresses that may compromise the performance of graphite components. Assessing component integrity requires accurate models of graphite's thermomechanical response. This report documents the Bayesian calibration of thermomechanical properties for nuclear-grade graphite and their application to graphite component modeling and simulation using the Grizzly code. As part of this work, uncertainty-quantified models were developed for the elastic modulus, coefficient of thermal expansion, irradiation-induced dimensional change, and irradiation-induced creep for graphite grades IG-110, NBG-18, NBG-17, PCEA, and 2114. Using a hierarchical Bayesian approach, multiple experimental data sources were combined to develop Gaussian process models for the properties. Using the Kennedy O'Hagan framework, the uncertainties due to inadequacies in the model and the inherent spread in the experimental data were quantified for three different models. These uncertainty-quantified models, with a model-form correction, were subsequently applied to a coupled-physics simulation of representative graphite components, revealing that the uncertainties have a large impact on the components' deformation.

36 - MATERIALS SCIENCE↗

DOE OSTI2022

High-Fidelity Mock Development for the Insensitive High Explosive TATB

Due to the violent reaction potential of high explosives, in tests where a reaction is not desired, it can be safe and convenient to use an inert mock that can mimic relevant properties of the associated explosive. Use of mock materials is well-established in explosives work, but most existing mocks are generally meant to mimic only one or two properties of a given explosive, potentially failing to match the explosive in other critical ways. Recently, there has been interest in developing robust thermomechanical mocks for many common explosives. Here, eleven materials are systematically chosen and investigated as potential thermomechanical mocks for TATB, the explosive component of PBX 9502. DSC, nanoindentation, and compression testing are used to narrow down to most appropriate mocks and identify their advantages and limitations. Hardness and elastic modulus are reported for the first time for the molecular crystals iodoanthranilic acid, hexamine, melamine, and trithiolane dioxide, and the crystal structure is reported for the first time for the molecular crystals iodoanthranilic acid and iodosalicylic acid.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Enhancement of the Physical and Mechanical Properties of Cellulose Nanofibril-Reinforced Lignocellulosic Foams for Packaging and Building Applications

Biobased foams have the potential to serve as eco-friendly alternatives to petroleum-based foams, provided they achieve comparable thermomechanical and physical properties. We propose a facile approach to fabricate eco-friendly cellulose nanofibril (CNF)-reinforced thermomechanical pulp (TMP) fiber-based foams via an oven-drying process with thermal conductivity as low as 0.036 W/(m·K) at a 34.4 kg/m3 density. Acrodur®, iron chloride (FeCl3), and cationic polyacrylamide (CPAM) were used to improve the foam properties. Acrodur® did not have any significant effect on the foamability and density of the foams. Mechanical, thermal, cushioning, and water absorption properties of the foams were dependent on the density and interactions of the additives with the fibers. Due to their high density, foams with CPAM and FeCl3 at a 1% additive dosage had significantly higher compressive properties at the expense of slightly higher thermal conductivity. There was slight increase in compressive properties with the addition of Acrodur®. All additives improved the water stability of the foams, rendering them stable even after 24 h of water absorption.

Chemistry↗

DOE OSTI2020

In-Pile Loss of Coolant Accident Testing at TREAT

Several hot-cell based LOCA test apparatuses still exist in various institutions across the world. These facilities typically surround rods with infrared electrical heaters to simulate LOCA conditions on the cladding. Despite its utility for cladding-focused testing, the furnace-based external heating method creates an inverted temperature gradient in fuel pellets compared to a true LOCA where radioisotope decay heat generates internal heat. Capturing the correct temperature gradient is essential in simulating the thermomechanical stress in fuel pellets, and hence a crucial design parameter investigating FFRD during a postulated LOCA. This thermomechanical stress state, for which the evolution of fuel pellet centerline and cladding temperatures is a good figure of merit, was the primary parameter investigated during conception of the LOCA-SERTTA device.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

A Multiscale Modeling Approach to Cryocompressed Hydrogen Storage Pressure Vessels – Part II: Constitutive Modeling and Finite Element Analysis

Subjected to thermomechanical cycling, composite cryogenic hydrogen (H2) storage pressure vessels experience high stresses in the carbon fiber (CF)/epoxy overwrap which can lead to vessel failure due to a combination of degradation mechanisms such as matrix cracking, fiber/matrix debonding, delamination, and fiber rupture. The present paper is the second part of a set of two articles on this subject that addresses analysis and design of these pressure vessels. Predictive finite element (FE) modeling capabilities have been used to support a material acceptance process that aims at providing guidance to evaluate specialty resins, vessel liner options, and CF composites through thermomechanical testing. We have applied a multiscale modeling approach recently developed (B.N. Nguyen et al., International Journal of Hydrogen Energy, 2019, https://doi.org/10.1016/j.ijhydene.2019.09.200) to perform three-dimensional (3D) FE analysis and design of a cryo-compressed H2 storage pressure vessel for its operation in a large temperature range from room to cryogenic temperatures. The developed approach termed the micro-meso-macro approach determines the laminar stresses in different layers of the vessel in addition to constituent (i.e., fiber and matrix) stresses that are important to the design of the composite overwrap for its layup and material combination to reduce the risk of vessel failure.

Nguyen, Ba Nghiep↗

DOE OSTI2024

Advanced Power Electronics and Electric Machines

The advanced power electronics and electric machines (APEEM) research group at the National Renewable Energy Laboratory (NREL) has developed world-class experimental and modeling capabilities for designing and evaluating efficient and reliable power electronics and electric machines thermal management systems. They also design, fabricate and characterize advanced power electronics packaging, and are developing state-of-health monitoring techniques. These researchers deliver safe, reliable, high performing, power-dense components that allow seamless integration between renewable energy sources, electric transportation, and the grid, helping to make widespread electric vehicle (EV) adoption and greenhouse gas emissions reduction more feasible. This document outlines the group's major capabilities in the areas of power electronics; module development and characterization; thermal modeling and management; thermomechanical reliability analysis of devices, modules, inverters/converters, and electric machines; physics-of-failure-based reliability analysis; and microelectronics. It also overviews the group's state-of-the-art equipment for fluid-based thermal management; thermal measurement & characterization; thermomechanical reliability analysis; micro- and power electronics measurement & characterization; and prototype fabrication, as well as the group's world-class modeling and simulation capabilities.

advanced gate drivers↗

DOE OSTI2020

Towards improved speed and accuracy of laser powder bed fusion simulations via multiscale spatial representations

Due to the growing popularity of laser powder bed fusion (LPBF) as a metal additive manufacturing technique, there is a strong need to be able to accurately predict build outcomes. Full fidelity simulations of this process are not feasible due to the vast range of length and time scales inherent to it. While part-scale codes for simulating residual stress and distortion have shown reasonable predictive capability, they often neglect many aspects of the process occurring over smaller length/time scales, and thus are unable to capture effects of process parameter adjustments or the behavior of fine features. One way of capturing aspects at more refined length scales is through the use of adaptive mesh refinement (AMR). AMR allows for the process to be simulated at scales approaching the physical spatial dimensions without drastically increasing the total degrees of freedom in the simulation. This manuscript describes the implementation of an AMR algorithm within a multiphysics, parallelized finite element code, and its application to the LPBF problem. In this work, part-scale examples are provided where the use of AMR has allowed for higher fidelity thermal and thermomechanical simulations, as compared to experimental measurements. Results from these higher resolution simulations show that while AMR is a necessary component for increased accuracy in a computationally efficient manner, other improvements are also necessary, including handling of the multiple time scales inherent to the problem and the need for improved AM-specific material models.

42 ENGINEERING↗

DOE OSTI2025

Thermal shock resistance of lightweight cements developed for geothermal conditions

Cements are a critical component in well construction, as they act to prevent well fluid and gas escape, prevent corrosion of the casing, and strengthen the wellbore to prevent deformation. Under the high temperature/pressure conditions common in geothermal systems, the injection of cold water for energy production is expected to induce cyclic damage to the borehole cement through the rapid temperature fluctuations. These “thermal shocks” are expected to cause casing shrinkage, annulus formation, and cement tensile stresses. To understand the effect of cold water injection on the wellbore environment, a set of rock-cement-steel samples were created to simulate the structure of a geothermal well. Lightweight thermally-insulating cement blends were tested under thermal shock conditions in this study. In each test, the samples were pressurized to an effective pressure of ~3.5 MPa and placed at high temperatures. Thermal shocks were performed by injecting cold water (~10-15 °C) through the samples at a constant rate while keeping the samples at high temperatures until the sample temperature stopped decreasing and deformation ceased. Eight thermal shock tests were conducted with each sample – two at 100 °C and six at 200 °C. Post-tests analysis was then conducted by cutting open each sample to examine the damage in each component of the simulated wellbore. Experimental results suggest that all samples experienced similar degrees of axial and lateral contraction during cold water injection, but for the most part this contraction is recoverable when injection halts. Post-test analysis revealed that fly ash cenosphere pre-treatment had the best effect on improving thermal shock resistance in the cement blends. Thermomechanical modeling of likely stress paths experienced by the cements during heating/cooling cycles shows that elasto-plastic cement constitutive behavior results in most plastic strain occurring during the initial heating steps, with mostly elastic strain occurring during the thermal shock cycles. In conclusion, this agrees with experimental evidence, suggesting that cement damage from shocking occurs via other mechanisms such as chemical alteration, corrosion, and fatigue.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Modeling the dynamic response of rock masses with multiple compliant fluid saturated joint sets - Part II: Continuum modeling

Part I of this two-part paper describes enhancements of a mesoscale model to include: many non-persistent fluid saturated joints with finite area, normal compliance with hysteresis and the weakening effects of angular deviation in the joint sets and of fluid pressure in the joints. The objective of this Part II is to use the results of the mesoscale model as simulated data to inspire functional forms in a continuum model for rock masses with multiple compliant fluid saturated joint sets which include these enhancements. Also, an algorithm is proposed for reducing the number of joint sets being modeled. Examples are presented here which show that the continuum model can predict similar anisotropic response to that observed in mesoscale simulations. In contrast with the mesoscale model, the continuum model can be used for large scale simulations of real applications, smoothly transitioning from coupled inelastic thermomechanical response near an explosive source to orthotropic elastic response far from the source.

58 GEOSCIENCES↗

DOE OSTI2020

Constitutive behavior and processing maps of a new wrought magnesium alloy ZE20 (Mg-2Zn-0.2Ce)

ZE20 (Mg-2Zn-0.2Ce) 2 is a new wrought magnesium alloy with improved extrudability and mechanical properties [1]. To understand the constitutive behavior and workability of this new alloy, Gleeble thermomechanical testing has been carried out in this study. The flow stress behavior of ZE20 was investigated between 250 °C–450 °C and 10 –3 s –1 –1.0 s –1 in isothermal compression. Constitutive descriptions of the flow stress are provided. A new general approach at application of the extended Ludwik equation is demonstrated and was found to be more accurate than the hyperbolic sine Arrhenius model while having a similar number of model constants. Processing maps were developed based on the experimental results and are verified with microstructural investigation. A region of safe processing with non-basal texture and high activity of dynamic recrystallization (DRX) was found between 375 °C and 450 °C, from 10 –1 s –1 to 10–2.5 s –1 . A region of potentially safe processing with annealing that is associated with shear band nucleation of non-basal grains was identified for temperatures as low as 300 °C and rates as high as 10 –1 s –1 .

36 MATERIALS SCIENCE↗

DOE OSTI2020

Predicting the effects of thermally-induced density gradients on the hydrodynamic behavior of PBX 9502

High explosives are often exposed to thermal and mechanical stimuli within normal and abnormal environments. These stimuli can introduce density gradients in the explosive charge but the effect of such gradients is not well-understood. The goal of this work is to develop a comprehensive methodology to model the evolution of density gradients under various thermal conditions and then to predict shock initiation and detonation behavior of the gradated sample. PBX 9502 was chosen for these scoping studies because it has a large coefficient of thermal expansion and because the available shock initiation data indicates that initial temperature strongly affects the shock-to-detonation transition (SDT). The multiphysics code COMSOL was first used to model induced density gradients in a slab of PBX 9502 with asymmetric heating. Then, the gradated sample was constructed in the Pagosa hydrocode to simulate steel flyer impact scenarios, with SDT and detonation propagation following a calibrated Scaled Uniform Reactive Front (SURF) burn model. Furthermore, the gradated material exhibited very different initiation and corner turning behavior compared to homogeneous materials, and the orientation of the gradation was also found to have some effect. The methodology used here can estimate thermomechanical response of the material for non-uniform thermal environments and compute the resulting detonation properties of the PBX.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗