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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Thermally stable and self-healable lignin-based polyester

The increased use of plastics and the associated environmental impact has catalyzed research on the development of bio-derived polymers. Bio-based polyesters have gained increased attention due to the abundance of their starting materials and ease of processing. Lignin is naturally occurring in biomass with rich carbon content, whose functionality and rigidity make it an ideal bio-derived candidate for bio-based polyesters. Herein, a lignin-based polyester with good thermal stability and self-repairability was synthesized from carboxylated lignin and epoxidized soybean oil. The synthesized lignin/epoxidized soybean oil (ESO) vitrimer was brittle such that its mechanical performance could not be recorded. However, when polyethylene glycol (PEG) was incorporated as a plasticizer, polymer samples exhibited acceptable ductility. From thermomechanical analysis of the synthesized polyesters, the plasticizer did not impair thermal stability of polymers, but greatly enhanced mechanical properties. Notably, all samples exhibited stability at high temperatures, and good glass transition temperatures (51.0 ± 0.9–78.0 ± 1.2 °C). The highest tensile strength (3.983 ± 0.1 MPa) and storage modulus (1463.67 ± 12.6 MPa) were recorded for the polyester containing 6 % w/w PEG. Moreover, the polymer samples exhibited self-healing capability at 180 °C. This work expands on valorization of lignin through the synthesis of bio-derived materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tailoring Nanoporous Silica and Natural Straw Structural Insulation Composites

Nanoporous silica exhibits ultralow thermal conductivity as a result of its nanoscale pore size, high pore volume, and specific surface area. In this study, we report the self-assembled surfactant-templated synthesis of nanoporous silica, which is integrated with cellulose fibers derived from natural straw to manufacture high thermal insulation and mechanically robust nanocomposites. The nanocomposite shows a low thermal conductivity of 22.5 mW/(m·K), a compressive modulus of 0.93 MPa, and a hydrophobicity with a water contact angle of 125°. Moreover, we observed a marked reduction in water absorption capacity and a carbon footprint of 0.21 kg CO 2 equiv/kg. Here, this study provides a pathway toward the development of nanoporous structural insulation materials for energy-efficient building applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Appealing sheath-core spun high-performance composite carbon molecular sieve membranes

Carbon molecular sieve (CMS) membranes are attractive candidates to meet requirements for challenging gas separations. The added ability to maintain such intrinsic properties in an asymmetric morphology with a structure that we term a “Pseudo Wheel+Hub & Spoke” asymmetric form offers new opportunities. For CMS membrane, specifically, the structure provides both selective layer support and low flow resistance even for high feed pressures and fluxes in CO 2 removal from natural gas. Further, this capability is unavailable to even rigid glassy polymers due to the much higher modulus of CMS materials. Combining precursor asymmetric hollow fiber formation and optimized pyrolysis creates a defect free CMS proof-of-concept membrane for this application. Facile formation of the sheath-core spun precursor with a 6FDA-DAM sheath and Matrimid® core also avoids the need to seal defects before or after the carbonization of the precursors. The composite CMS membrane shows CO 2 /CH 4 (50 : 50) mixed gas feed with an attractive CO 2 /CH 4 selectivity of 64.3 and CO 2 permeance of 232 GPU at 35 °C. A key additional benefit of the approach is reduction in use of the more costly high performance 6FDA-DAM in a composite sheath-core CMS membrane with the “Pseudo Wheel+Hub & Spoke” structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

High-performance molded composites using additively manufactured preforms with controlled fiber and pore morphology

Here, large-scale multimaterial preforms produced by additive manufacturing (AM) underwent compression molding (CM) to produce high-performance thermoplastic composites reinforced with short carbon fibers. AM and CM techniques were integrated to control the fiber orientation (microstructure) and to reduce void content for the improved mechanical performance of the composite. The new integrated manufacturing technique is termed “additive manufacturing-compression molding” (AM-CM). For the present study, the most common materials were used for large-scale printing, i.e., acrylonitrile butadiene styrene (ABS), carbon fiber (CF)–filled ABS (CF/ABS) and glass fiber (GF)–filled ABS (GF/ABS). Three different manufacturing processes; (a) AM (b) extrusion compression molding (ECM), and (c) AM-CM were used to prepare four different panel configurations: (1) neat ABS, (2) CF/ABS, (3) overmold (CF/ABS over neat ABS), and (4) sandwich (neat ABS between two CF/ABS layers). The mechanical properties (tensile and flexural strength and modulus, and Izod impact energy) of samples prepared via all three manufacturing processes were compared. X-ray microcomputer tomography was employed to evaluate the fiber orientation distribution and the volumetric porosity content. The preform maintained high fiber alignment (≈ 82% of fibers within the range of 0–20° in the deposition direction), and the volumetric porosity was reduced by 50% from 3.79% to 1.91% after compression. The alignment of long pores along the deposition direction was also observed. The mechanical properties are discussed with correlation to the fiber alignment and void content in the samples. CF/ABS samples prepared by AM-CM showed significant improvement of 11.15%, 35.27%, 28.6%, and 74.3% in the tensile strength, tensile modulus, flexural strength, and flexural modulus, respectively, when compared with samples prepared by ECM. Unique aspects of this study are the demonstration of large-scale multimaterial AM and the use of multimaterials as preforms to make high-performance composites.

36 MATERIALS SCIENCE↗
DOE OSTI2024

ASSESSMENT OF HIGH-VOLUME HARVESTED FLY ASH BLENDS FOR USE IN PRECAST CONSTRUCTION

Declining supplies of fresh fly ashes in some regions have further driven the importance of using harvested fly ash as a supplementary cementitious material and thus replacement for more energy-intensive ordinary Portland cement (OPC). Higher replacement rates of OPC with fly ash in general has traditionally been limited in precast operations due to stringent early-age strength requirements necessitated by initial prestress and lifting/handling of hardened components – often well within 24 hours after fresh concrete placement. Therefore, a series of mix designs were developed, as part of a larger framework for reassessing high-volume fly ash (HVFA) use in the context of precast construction, to demonstrate the feasibility of using larger fractions of harvested fly ash in concrete formulations suitable for precast fabrication demands. More specifically, a target minimum 24-hour compressive strength of 24.1 MPa (3500 psi) was set, in accordance with conventional precast structural design checks, while increasing the fly ash content to 40% replacement of OPC – at least a 15% increase above the traditional limit of 25%. The effect of using more sustainable Type IL cement in contrast to conventional Type III Portland cement (the traditional standard for precast use) – both in conjunction with HVFA use – was also examined. Early-age mechanical properties including compressive strength, modulus of rupture, and modulus of elasticity were evaluated within the aforementioned early-age window. Lastly, corresponding design equations were then reassessed for their applicability with respect to the high-early strength HVFA mixes examined herein.

Gombeda, Matthew J.↗
DOE OSTI2022

Mechanically and thermally robust microporous copolymer separators for lithium ion batteries

Next generation, multifunctional separators can enhance energy storage, power, and safety performance of lithium ion batteries but must be simple to fabricate and incorporate with existing roll-to-roll manufacturing. Here, this study presents a strategy to facilely prepare these separators using UV-initiated polymerization-induced phase separation (PIPS), wherein microporous polymer separators are fabricated directly from constituent monomers and ethylene carbonate (EC) porogen. This enables a wide compositional design space as co-monomers with specific chemical functionality can be readily incorporated into the PIPS precursor mixture. Herein, 1,4-butanediol diacrylate (BDDA) was copolymerized with poly(ethylene glycol) diacrylate (PEGDA) to increase the acrylate conversion in the photopolymerization and improve mechanical properties. By tuning the ratio of PEGDA and EC, separators with high porosity (41.3%) and effective ionic conductivity (2.09 mS cm –1 ) were prepared. Inclusion of PEGDA was essential to increasing the elastic modulus to > 345 MPa, which is required for cell assembly by roll-to-roll manufacturing. All separators prepared were shown to enable reversible cycling of lithium metal/LiNi 0.5 Mn 0.3 Co 0.2 O 2 half-cells for 100 cycles. Unlike conventional polyolefin separators, which were shown to melt at 160 °C and shrink by up to 29.8% at elevated temperatures, the PIPS separators possess exceptional, safety-enhancing thermomechanical properties, undergoing no phase transitions or thermal shrinkage.

25 ENERGY STORAGE↗
DOE OSTI2021

Probing the Damage Zone at Parkfield

Rocks are heterogeneous materials that exhibit nonlinear elastic (anelastic) behavior at scales ranging from the laboratory to Earth. In the laboratory, typical, complex relationships exist between stress and strain that include hysteresis, finite relaxation times, strain rate, and history dependence. These behaviors are linked to important characteristics such as stress, porosity, permeability, material integrity, and material failure. In this work, we adopted a “pump-probe” type experiment common in laboratory studies, using solid earth tides as the low-frequency pump and empirical Green's function as the high-frequency probe. By probing the velocity at different points in the pump cycle, we constrained important information about the strain-modulus relationship. Near the San Andreas Fault, we observed strongly nonlinear elastic behavior that characterizes the damage zone. We also constrained important aspects of hysteretic behavior that are related to damage properties and possibly pore pressure. Away from the fault, the nonlinear behavior is diminished.

58 GEOSCIENCES↗
DOE OSTI2022

High‐Pressure and High‐Temperature Single‐Crystal Elasticity of Cr‐Pyrope: Implications for the Density and Seismic Velocity of Subcontinental Lithospheric Mantle

Abstract Single‐crystal X‐ray diffraction and Brillouin spectroscopy experiments were performed on a natural Cr‐pyrope (Prp 71.0 Alm 12.6 Sps 0.7 Grs 3.5 Uvr 12.2 ) at high pressure and high temperature up to 11.0 GPa and 800 K. Fitting the collected data to the third‐order finite strain equation yields bulk modulus ( K S 0 ), shear modulus ( G 0 ), their pressure ((∂ K S /∂ P ) T and (∂ G /∂ P ) T ) and temperature (( ∂K S /∂T ) P and ( ∂G/∂T ) P ) derivatives, K S 0 = 167.7(8) GPa, G 0 = 91.5(5) GPa, (∂ K S /∂ P ) T = 4.3(1), (∂ G /∂ P ) T = 1.4(1), ( ∂K S /∂T ) P = − 0.0175(1) GPa/K and ( ∂G/∂T ) P = − 0.0073(1) GPa/K. Using the obtained results, we examined whether the elastic properties of the Cr‐pyrope can be accurately calculated from those of endmembers including pyrope, almandine, grossular, and uvarovite assuming a linear relationship between elastic properties and composition (end‐member model). The results indicate that the end‐member model provides a sufficient approximation for the elastic properties of Cr‐pyrope in calculating the density and velocity of the subcontinental lithospheric mantle (SCLM). We modeled the densities and velocities of three typical types of SCLM (Archon, Proton, and Tecton) in order to investigate how the variation of chemical composition influences the SCLM. We obtained that the compositional change from the Archon to the Tecton increases the density of the SCLM significantly, which can be an important prerequisite for SCLM delamination. However, the compositional variation only slightly changes the velocity of the SCLM and the change is within the uncertainty of the calculation. Moreover, in comparison to the velocity, ρ / V P and ρ / V S are much more sensitive to the compositional change of the SCLM.

Xu, Jingui↗
DOE OSTI2021

Closing the Loop on Automotive Carbon Fiber Prepreg Manufacturing Scrap

The project demonstrated how to “close the loop” on carbon fiber by integrating industrial carbon fiber scrap into new functional components in an automotive lightweighting application. The project serves as a validation of discontinuous recycled carbon fiber in a commercial context, while generating comprehensive material data throughout the production chain. To this end, the project exhibited increasing complexity as material evaluation progressed from benchtop to commercial scale through full-scale part production, with key material properties thoroughly characterized throughout the process. Of particular focus was the form of the fiber that was fed into compounding, as recycled fiber has historically been problematic to feed at commercial-scale. Carbon fiber is energy-intensive to manufacture, so reuse of existing fiber material can reduce costs and increase sustainability. Additionally, by integrating recovered short fiber into a thermoplastic, regrind processes can be used to provide feedstock for later generations of product. While regrind plastics are not “infinitely recyclable”, reusing the manufacturing scrap over several generations of products can greatly increase material sustainability and lower the fractional embodied energy of each successive product. As such, this project supports the IACMI technical goals of (1) 25% lower carbon fiber-reinforced polymer (CFRP) cost, (2) 50% reduction in CFRP embodied energy, and (3) 80% composite recyclability into useful products. The initial stage of the project involved down selecting surface treatment (sizing) chemistries. Sizing evaluations were performed on Vartega’s chemically recycled intermediate modulus fiber along with standard modulus dry scrap which was oversized with sizing provided by Michelman. More dramatic improvements from sizing were found on the standard rather than the intermediate modulus fibers. The strength of the chemically recycled individual fibers were evaluated by Michelman and ORNL through single fiber testing and found to be comparable to similarly evaluated virgin fibers. UDRI’s mechanical testing on injection molded test specimens identified similar mechanical properties and fiber distribution relative to benchmark specimens. Additional surface chemistry tests and visualizations were performed by the Colorado School of Mines to confirm close conformance between the benchmark and recycled-fiber specimens. As the mechanical test results exceeded the 80% threshold established as the go/no-go(GNG), the project scale was increased to use commercial-scale equipment that would both better characterize the manufacturing utility of the target product format and allow qualitative assessment of a complex commercial part. An upscaled compounding evaluation was performed with a 27 mm twin-screw compounding extruding using oversized standard modulus fibers that were formatted to improve bulk solids transfer. The project team anticipated that milestone mechanical benchmarks could be achieved given the favorable performance of the sized standard modulus material identified in the initial micro-compounding trials. While the mechanical performance did meet the milestone target for that phase of the project, mechanical properties for this standard modulus-based compound were still less than those of the Ford specification. To compare the performance, the project team oversized intermediate modulus dry fibers and compounded them with the project resin at BASF using a 40 mm compounder. Test specimen mechanical performance exceeded the targets laid out in both the project milestone and the Ford specification. A series of prototype parts were successfully molded, albeit with instances of short shot components due to the high thermal conductivity of the carbon fiber compared to glass fiber for which the prototype tool was designed for. The project demonstrated that recycled carbon fiber is a viable option in fiber reinforced compound, providing greatly increased strength and modulus for applications that require them. The “agglomerated” format that facilitated effective bulk solids transfer of recovered fiber showed promise for industrial application.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Highly Flexible Dielectric Films from Solution Processable Covalent Organic Frameworks**

Abstract Covalent organic frameworks (COFs) are known to be a promising class of materials for a wide range of applications, yet their poor solution processability limits their utility in many areas. Here we report a pore engineering method using hydrophilic side chains to improve the processability of hydrazone and β‐ketoenamine‐linked COFs and the production of flexible, crystalline films. Mechanical measurements of the free‐standing COF films of COF‐PEO‐3 (hydrazone‐linked) and TFP‐PEO‐3 (β‐ketoenamine‐linked), revealed a Young's modulus of 391.7 MPa and 1034.7 MPa, respectively. The solubility and excellent mechanical properties enabled the use of these COFs in dielectric devices. Specifically, the TFP‐PEO‐3 film‐based dielectric capacitors display simultaneously high dielectric constant and breakdown strength, resulting in a discharged energy density of 11.22 J cm −3 . This work offers a general approach for producing solution processable COFs and mechanically flexible COF‐based films, which hold great potential for use in energy storage and flexible electronics applications.

Senarathna, Milinda C.↗
DOE OSTI2022

Development of high‐performance partially biobased thermoset polyester using renewable building blocks from isosorbide, 1,3‐propanediol, and fumaric acid

Abstract Research on biobased thermoset resins has been overlooked when compared with the rapid progress on biobased thermoplastics. The objective of this work was to develop unsaturated polyester prepolymers based on building blocks derived from renewable raw materials, namely, biobased isosorbide, 1,3‐propanediol, and fumaric acid, with petroleum‐derived phthalic anhydride. The prepolymers developed herein behaved as low‐molecular weight macromolecules (oligoesters), with M n varying between 1.2 and 1.5 kDa, but achieved a high bio‐content of up to 87.1 wt%. The prepolymers were incorporated into reactive diluents comprising a blend of 2‐hydroxyethyl methacrylate and styrene, formulated to be eco‐friendlier and less toxic than typical styrene‐only incorporation approach, thus resulting in resins with viscosities between 750 and 950 cP. These resins are suitable for use in various fiber‐reinforced polymer production techniques, such as manual lamination, vacuum infusion, and pultrusion, having the benefit of presenting over 50 wt% of bio‐content in some formulations. Moreover, the crosslinked polyester resins (thermosets) exhibit comparable mechanical and thermomechanical behavior to their petrochemical‐based counterparts, with modulus of elasticity and tensile strength of up to 3.9 GPa and 62.1 MPa, respectively, and glass transition temperatures of up to 106°C, making them greener alternatives for high‐performance structural applications.

Hofmann, Mateus↗
DOE OSTI2025

Polysulfamates as “Macroisosteres” of Polyurethanes with Improved Degradability

Abstract Addressing the environmental persistence of plastics requires the development of next‐generation polymers that combine high performance with enhanced degradability. Progress toward this grand challenge has been impeded, in part, by the absence of a general blueprint for the macromolecular design of such materials. Herein, we introduce a “macroisostere” design strategy, where the carbonyl group (–CO–) in polyurethanes (PUs) is replaced with a sulfonyl group (–SO 2 –), resulting in a virtually unknown family of polymers called polysulfamates. This approach, inspired by the use of bioisosteres in drug discovery, aims to preserve key interchain interactions that contribute to thermomechanical performance while enhancing the hydrolytic lability of the polymer backbone. The optimization of a Sulfur(VI) Fluoride Exchange (SuFEx) polymerization allowed the synthesis of ten polysulfamates structurally analogous to common PUs. Comparative analysis of one PU and its polysulfamate analog showed that this isosteric substitution increases thermal stability, slightly lowers the glass transition temperature, and retains similar hardness and reduced Young's modulus. Notably, the S(VI)‐based polysulfamate demonstrated significantly enhanced hydrolytic degradability. These results highlight the potential of the “macroisostere” approach as a generalizable strategy for designing high‐performance, degradable alternatives to traditional plastics.

Chemistry↗
DOE OSTI2021

Simulated Adhesive Response to Aging (CRADA 453 Final Report)

The goal of this project was to develop a suite of molecular models to investigate adhesive performance as a result of the presence of different levels of moisture. These different levels of moisture are accepted in the adhesives community to represent different states of aging. First, our team modeled the adhesive’s crosslinked structure. Next, we modeled adding water to the crosslinked structure and used high performance computing resources to simulate water diffusion through the bulk adhesive and possible sites for chain scission. Finally, we modeled the response of the simulated adhesive to tensile loads at various levels of moisture content. These simulations were validated by experimental characterization by the industry partner. We found that the Young’s modulus of the adhesive decreased by about 30% when the water content increased to 3 wt.%. Our simulations also identified the likely site where the polymer chain could break. Our integration of molecular level simulations and mechanical property predictions using high performance computing with experimental studies of a hydrated epoxy system has yielded fundamental insights that will help industry advance lightweight joining technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Enhancing Composite Toughness Through Hierarchical Interphase Formation

High strength and ductility are highly desired in fiber-reinforced composites, yet achieving both simultaneously remains elusive. A hierarchical architecture is developed utilizing high aspect ratio chemically transformable thermoplastic nanofibers that form covalent bonding with the matrix to toughen the fiber-matrix interphase. The nanoscale fibers are electrospun on the micrometer-scale reinforcing carbon fiber, creating a physically intertwined, randomly oriented scaffold. Unlike conventional covalent bonding of matrix molecules with reinforcing fibers, here, the nanofiber scaffold is utilized - interacting non-covalently with core fiber but bridging covalently with polymer matrix - to create a high volume fraction of immobilized matrix or interphase around core reinforcing elements. This mechanism enables efficient fiber-matrix stress transfer and enhances composite toughness. Molecular dynamics simulation reveals enhancement of the fiber-matrix adhesion facilitated by nanofiber-aided hierarchical bonding with the matrix. The elastic modulus contours of interphase regions obtained from atomic force microscopy clearly indicate the formation of stiffer interphase. These nanoengineered composites exhibit a ≈60% and ≈100% improved in-plane shear strength and toughness, respectively. This approach opens a new avenue for manufacturing toughened high-performance composites.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Unlocking the Electrochemical–Mechanical Coupling Behaviors of Dendrite Growth and Crack Propagation in All-Solid-State Batteries

Dendrite growth and crack propagation are two major hurdles on the road towards the large-scale commercialization of lithium metal all-solid-state batteries (ASSBs). Due to the high multiphysics coupled nature of the underlying dendrite growth mechanism, understanding it has been difficult. Herein, for the first time, an electrochemical-mechanical model is established that directly couples dendrite growth and crack propagation from a physics-based perspective at the cell level. Results reveal that overpotential-driven stress propels a crack to penetrate through the solid electrolyte, creating vacancies for dendrite growth, leading to the short circuit of the battery. Thus, high lithiation/charging rate and low conductivity of electrolytes can accelerate the electrochemical failure of the battery. It is further discovered that Young's modulus E LLZO of the electrolyte has competing contributions to the fracture and dendrite growth; specifically, when E LLZO = 40-100 GPa, the short circuit is triggered early. A larger toughness value hinders the crack propagation and mitigates the Li dendrite growth. The developed multiphysics model provides an in-depth understanding of the coupling of crack propagation and dendrite growth within ASSBs and an insightful mechanistic design guidance map for robust and safe ASSB cells.

25 ENERGY STORAGE↗
DOE OSTI2022

Alkali-activated slag (AAS) and OPC-based composites containing crumb rubber aggregate: Physico-mechanical properties, durability and oxidation of rubber upon NaOH treatment

Value-added utilization of waste tires in cementitious materials has been studied for decades, whereas the synergy between rubber and alkali-activated cements deserves more investigations. To this end, we compared physico-mechanical and durability properties of alkali-activated slag (AAS) and OPC-based composites containing NaOH-pretreated/as-received crumb rubber (CR). It was found that the incorporation of CR had both positive and negative effects on specimens due to its special attributes. CR reduced electrical conductivity which was associated with the ion transport ability, since it worked as an electrical insulator and increased hydrophobicity of pore walls. The sulfate expansion decreased with CR content because the flow of sulfate ions was demobilized, and the flexibility of CR relieved the internal stress. CR also improved the freeze-thaw durability of composites if the total CR content was less than 30% in specimens. However, the low Young's modulus of CR impaired the compressive strength and failed to effectively control the total shrinkage upon drying. The composites with CR must avoid high temperature exposure which resulted in the pyrolysis of rubber. In addition, the NaOH pretreatment enhanced adhesion between CR and hydrated cement and improved overall performances of composites. The FTIR spectra confirmed the NaOH-induced accelerated oxidation of CR surface and the generation of polar functional groups including carbonyl and carboxyl groups, increasing the total surface energy of rubber. More importantly, the alkali-activation process for AAS could treat the CR aggregate in the meantime, which means the use of CR in alkali-activated cements does not require the pretreatment of CR before blending.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Investigation of ion irradiation effects on mineral analogues of concrete aggregates

Irradiation can cause prominent damage to reactor concrete aggregates leading to amorphization, strength and modulus decrease, radiation induced volume expansion (RIVE) and micro-cracking, which limits their long-term performance. Here, to develop an improved understanding of irradiation effects in concrete, three mineral analogues of concrete aggregates (limestone, marble and quartzite) were irradiated by 5.5 MeV He ions and 13 MeV Ni ions to surface doses of 0.011 displacements per atom (dpa) and 0.23 dpa, respectively, at room temperature. The two different ion species allow irradiation spectrum effects (ionizing and displacive) to be examined. Irradiation induced cracks were observed in He irradiated limestone and marble, and Ni irradiated quartzite. Full amorphization was observed in Ni irradiated quartzite with 14.3 % RIVE, and ∼25 % hardness and modulus decrease, while almost no change was observed in He irradiated quartzite except 4.35 % RIVE, revealing a possible ionization enhanced diffusion effect for high energy light ions. Furthermore, partial amorphization was observed in Ni irradiated marble and limestone matrix with a 12 % hardness decrease in marble while no amorphization was observed for He irradiation with a 20 % hardness increase in limestone matrix. The role of knock-on damage and irradiation spectrum on amorphization, volumetric expansion and mechanical property changes are discussed. Moreover, the onset and critical doses for amorphization and RIVE in quartz are obtained for ion irradiations at room temperature. The dose dependence of RIVE exhibits a delay compared to the amorphization behavior. The superior irradiation resistance of calcite phase compared to quartz phase implies there could be advantages to using calcareous aggregates and lowering the usage of siliceous aggregates for concrete in nuclear power plants for extended operation beyond 60 years. However, other effects such as corrosion, aging and reactions during severe accidents should also be considered, and further investigations are needed.

Amorphous↗
DOE OSTI2022

Analyses of internal structures and defects in materials using physics-informed neural networks

Characterizing internal structures and defects in materials is a challenging task, often requiring solutions to inverse problems with unknown topology, geometry, material properties, and nonlinear deformation. Here, we present a general framework based on physics-informed neural networks for identifying unknown geometric and material parameters. By using a mesh-free method, we parameterize the geometry of the material using a differentiable and trainable method that can identify multiple structural features. We validate this approach for materials with internal voids/inclusions using constitutive models that encompass the spectrum of linear elasticity, hyperelasticity, and plasticity. We predict the size, shape, and location of the internal void/inclusion as well as the elastic modulus of the inclusion. Our general framework can be applied to other inverse problems in different applications that involve unknown material properties and highly deformable geometries, targeting material characterization, quality assurance, and structural design.

36 MATERIALS SCIENCE↗