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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Harnessing peptide–cellulose interactions to tailor the performance of self-assembled, injectable hydrogels

Taking inspiration from natural systems, such as spider silk and mollusk nacre, that employ hierarchical assembly to attain robust material performance, we leveraged matrix–filler interactions within reinforced polymer–peptide hybrids to create self-assembled hydrogels with enhanced properties. Specifically, cellulose nanocrystals (CNCs) were incorporated into peptide–polyurea (PPU) hybrid matrices to tailor key hydrogel features through matrix–filler interactions. Herein, we examined the impact of peptide repeat length and CNC loading on hydrogelation, morphology, mechanics, and thermal behavior of PPU/CNC composite hydrogels. The addition of CNCs into PPU hydrogels resulted in increased gel stiffness; however, the extent of reinforcement of the nanocomposite gels upon nanofiller inclusion also was driven by PPU architecture. Temperature-promoted stiffening transitions observed in nanocomposite PPU hydrogels were dictated by peptide segment length. Analysis of the peptide secondary structure confirmed shifts in the conformation of peptidic domains (α-helices or β-sheets) upon CNC loading. Finally, PPU/CNC hydrogels were probed for their injectability characteristics, demonstrating that nanofiller–matrix interactions were shown to aid rapid network reformation (∼10 s) upon cessation of high shear forces. Overall, this research showcases the potential of modulating matrix–filler interactions within PPU/CNC hydrogels through strategic system design, enabling the tuning of functional hydrogel characteristics for diverse applications.

42 ENGINEERING↗
DOE OSTI2022

An energy-based study of the embedded element method for explicit dynamics

Abstract The embedded finite element technique provides a unique approach for modeling of fiber-reinforced composites. Meshing fibers as distinct bundles represented by truss elements embedded in a matrix material mesh allows for the assignment of more specific material properties for each component rather than homogenization of all of the properties. However, the implementations of the embedded element technique available in commercial software do not replace the material of the matrix elements with the material of the embedded elements. This causes a redundancy in the volume calculation of the overlapping meshes leading to artificially increased stiffness and mass. This paper investigates the consequences in the energy calculations of an explicit dynamic model due to this redundancy. A method for the correction of the edundancy within a finite element code is suggested which removes extra energy and is shown to be effective at correcting the energy calculations for large amounts of redundant volume.

Martin, Valerie A.↗
DOE OSTI2026

Mechanically graded granular scaffolds for osteochondral tissue engineering

Engineered scaffolds designed to approximate the mechanical microenvironment of the osteochondral unit often address this complexity using discrete, two-phase architectures that introduce mechanical discontinuities and interfacial stress concentrations rather than a contiguous stiffness transition. To address this challenge, we created a photoannealed polyethylene glycol (PEG) granular scaffold with a spatially controlled stiffness gradient within a cell-permissive, macroporous architecture. Stiffness was dictated by photoannealing microgels using a photomask. We tuned void volume and available surface area by varying microgel diameter and tested how mesenchymal stromal cells (MSCs) interpret local mechanical environments. MSCs exhibited position-dependent differences in morphology, cytoskeletal structure, matrix deposition, and lineage-specific gene expression within the gradient scaffolds. Softer regions supported rounded cell morphology and deposition of a glycosaminoglycan-rich matrix, whereas stiffer regions promoted cell elongation, increased cytoskeletal tension, and expression of mineral-associated markers. Gradients formed from smaller microgels magnified these spatial responses by increasing cellular confinement and adhesion site availability. Disruption of actomyosin contractility eliminated these regional differences, demonstrating that MSCs rely on tension-dependent mechanotransduction to interpret the gradient. These findings reveal that coupling microgel architecture with continuous stiffness transitions provides a tractable platform to study multiscale mechanobiologic regulation and spatially guide osteochondral tissue formation.

Biological and medical sciences↗
DOE OSTI2021

Development and characteristics of ultra high-performance lightweight cementitious composites (UHP-LCCs)

Highlights: • An ultra high-performance lightweight cementitious composite (UHP-LCC) was designed. • The UHP-LCCs had ultra high strength (>120 MPa) and very low density (3 ). • The UHP-LCCs had high structural efficiency, good functional properties and superior durability. • The strategies and mechanisms on achieving UHP-LCCs with excellent performance were proposed. High strength and light weight are two recent opposite development trends of concrete. This study proposed a design concept of an ultra high-performance lightweight cementitious composite (UHP-LCC), which had a compressive strength of higher than 120 MPa and an air-dried density down to around 1800 kg/m{sup 3}. The UHP-LCCs were innovatively developed by incorporating micro-sized hollow particles with a high strength shell (hollow glass microspheres, HGM) into an ultra-high performance cementitious composite (UHPC). The roles of HGM in the UHP-LCCs were investigated by evaluating the reactivity of the HGM and the mechanisms on achieving the excellent mechanical properties, low density and superior durability were revealed. The Chapelle test results showed that the HGM exhibited some pozzolanic reactivity, which facilitated the reaction between the shell of HGM and the alkali hydration products of the paste matrix. This chemical reaction was conducive to improving the HGM-paste interface and enhancing the mechanical properties. With the use of microspheres with a high stiff shell, the fundamental properties of the UHP-LCCs including thermal insulation, sound absorption, resistance to water ingress and electrical resistivity were improved significantly. The strategies for preparing the UHP-LCCs with high structural efficiency and great performance were proposed. The results of this study provide a new approach for designing and producing a lightweight UHPC, which would be a promising material for long-span structures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ultrafine-grained Fe-TiB 2 high-modulus nanocomposite steel with high strength and isotropic mechanical properties by laser powder bed fusion

Fe-TiB 2 metal matrix composite, also called high-modulus steels (HMSs), are of great interest for applications in fuel-efficient transportation infrastructure, aerospace, and wear industries due to their high specific stiffness and yield strength. However, conventional cast Fe-TiB 2 HMSs often contain coarse and sharp-edged TiB 2 particles which easily trigger premature cracking during loading. Here, we synthesized a Fe-TiB 2 nanocomposite HMS via laser powder bed fusion (LPBF) additive manufacturing of mixed micro-sized powders of Fe, Ti, and Fe 2 B. We investigated the microstructure formation and mechanical behavior of the Fe-TiB 2 HMS. We found that in situ chemical reaction of Ti and Fe 2 B enables the formation of TiB 2 particles at nanoscale during rapid solidification of LPBF. These nanoscale TiB 2 particles can serve as heterogeneous nucleation sites and promote the formation of ultrafine and equiaxed α-Fe grains with random crystallographic textures, which differ from many other additively manufactured (AM) metal alloys characteristic of strong crystallographic textures. As such, isotropic mechanical properties were achieved in the AM Fe-TiB 2 nanocomposite HMS with a high elastic modulus of ~ 240 GPa, an exceptional yield strength of ~ 1450 MPa, and a large plasticity of ~ 20% under compression. Quantitative analysis reveals that the high yield strength primarily originates from strengthening contributions of the ultrafine grains with an average grain size of ~450 nm, the nanoscale TiB 2 reinforcing particles of 20–180 nm, and a high density of printing-induced dislocations of the order of 10 15 m –2 . In situ synchrotron high-energy X-ray diffraction unveils the load partitioning from the softer α-Fe matrix to the stiffer and stronger TiB 2 nanoparticles, contributing to the sustained strain hardening during compression. Our work not only provides a general pathway for achieving high-performance metal matrix nanocomposites by in situ chemical reaction and precipitation of ceramic nanoparticles during additive manufacturing, but also offers mechanistic insights into the deformation mechanism of nanoparticle-reinforced HMS composites.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Photo-actuators via epitaxial growth of microcrystal arrays in polymer membranes

Photomechanical crystals composed of three-dimensionally ordered and densely packed photochromes hold promise for high-performance photochemical actuators. However, bulk crystals with high structural ordering are severely limited in their flexibility, resulting in poor processibility and a tendency to fragment upon light exposure, while previous nano- or microcrystalline composites have lacked global alignment. Here we demonstrate a photon-fuelled macroscopic actuator consisting of diarylethene microcrystals in a polyethylene terephthalate host matrix. These microcrystals survive large deformations and show a high degree of three-dimensional ordering dictated by the anisotropic polyethylene terephthalate, which critically also has a similar stiffness. Overall, these ordered and compliant composites exhibit rapid response times, sustain a performance of over at least hundreds of cycles and generate work densities exceeding those of single crystals. In conclusion, our composites represent the state-of-the-art for photochemical actuators and enable properties unattainable by single crystals, such as controllable, reversible and abrupt jumping (photosalient behaviour).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Polymer-Grafted Cellulose Nanofibrils with Enhanced Interfacial Compatibility for Stronger Poly(lactic acid) Composites

Cellulose nanofibrils (CNFs) are a promising reinforcement for biodegradable composite matrices such as poly(lactic acid) (PLA), but they require commercially scalable drying methods that preserve their fibrillar morphology along with improved interfacial interactions with polymer matrices. In this work, a water-based grafting-through polymerization scheme to modify CNFs improved spray drying behavior and reinforcement capacity in PLA composites. All polymer modifications yielded CNFs with a more fibrillar morphology after spray drying, increasing specific surface area by up to 490% compared to unmodified CNFs, values similar to conventional freeze drying. Polymer-grafted CNFs in PLA composites improved the tensile strength by 16% at 20 wt % loading and stiffness by 22% at a 10 wt % loading with two different graft-polymer chemistries compared to unmodified CNF composites. Surface energy heterogeneity measurements of the reinforcements and PLA matrix were employed to understand the improvements in composite properties. Polymer modifications lowered the total surface energy of the CNFs, and calculated ratios of work of adhesion to work of cohesion suggested improved interfacial compatibility for four of the modified CNFs with PLA. Rheological oscillatory shear studies of the composites correlated solid-like melt behavior, as demonstrated by storage moduli dominance, with higher tensile strength. Thermal analysis of the composites revealed that excessive plasticization by the poly(oligoethylene glycol methyl ether methacrylate)-grafted sample potentially offset mechanical property improvements imparted by the more fibrillar morphology. This work provides an opportunity for large-scale manufacturing of CNF/PLA composites via an entirely aqueous modification scheme and industrially relevant spray drying process.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electromagnetic Transient Simulation Algorithms for Evaluation of Large-Scale Extreme Fast Charging Systems (Distribution Grid Models)

The distribution and transmission grids are observing an increased penetration of power electronics in loads and generations. For example, there is increasing interest in integrating in extreme fast charging (XFC) systems for fast charging of electrical vehicles. As these systems are integrated, developing high-fidelity electromagnetic transient model of XFC systems in distribution grids and evaluating their interactions with the power grid would be of significant interest. This model will be utilized for design of XFC systems, to identify upgrades in distribution and/or transmission grids, for planning purposes by transmission planners or operators or owners, among others. It can also be utilized in operations for improved reliable performance of the grid and/or XFC station. The challenge with simulating these models is the high computational complexity introduced by the large number of states present in the system and the time-step needed to simulate the system. In this paper, advanced simulations algorithms are applied to reduce the computational complexity of simulating large-scale XFC systems. The algorithms include numerical stiffness-based segregation, time constant-based segregation, clustering and aggregation on differential algebraic equations (DAEs), and multi-order integration approaches. While the first three algorithms split the matrix that needs to be inverted from a large matrix to much smaller matrices, the final algorithm reduces the computational burden of applying higher-order integration approaches in the complete system. The comparison made in the previous sentence is with respect to use of homogeneous integration approaches used in conventional electromagnetic transient simulators like power systems computer aided design (PSCAD). The approaches mentioned here have resulted in speed-up of 36x in the simulation of a single distribution system with 15 XFCs.

Debnath, Suman↗
DOE OSTI2023

High Strength, Encapsulated, Commercially Useful Components and Particles Made from Coal Combustion Residuals

This project has developed and demonstrated two high-volume applications for Coal Combustion Residuals (CCR) with annual usage on the order of billions of pounds. The CCR is encapsulated in a recently developed water-impervious inorganic resin coating to reduce leaching of toxic elements from CCR by more than 80% as a first step. Target commercial applications demonstrated for the encapsulated CCR were as reinforcement for high-strength structural columns composed of CCR embedded in a ceramic matrix and as filler in high-volume plastics such as polypropylene. The encapsulated particles produced columns with properties superior to concrete, and a 30% to 50% improvement in stiffness over current fillers in plastics. CCR from bituminous and lignite coal was evaluated and shown to provide high performance, with the bituminous CCR producing the strongest columns and the lignite-based CCR provided the best performance as coated filler in polypropylene. The two-year project advanced both material systems from a Technology Readiness Level (TRL) of 2 to TRL 4.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Efficient discontinuous Galerkin implementations and preconditioners for implicit unsteady compressible flow simulations

This work presents and compares efficient implementations of high-order discontinuous Galerkin methods: a modal matrix-free discontinuous Galerkin (DG) method, a hybridizable discontinuous Galerkin (HDG) method, and a primal formulation of HDG, applied to the implicit solution of unsteady compressible flows. The matrix-free implementation allows for a reduction of the memory footprint of the solver when dealing with implicit time-accurate discretizations. HDG reduces the number of globally-coupled degrees of freedom relative to DG, at high order, by statically condensing element-interior degrees of freedom from the system in favor of face unknowns. The primal formulation further reduces the element-interior degrees of freedom by eliminating the gradient as a separate unknown. This paper introduces a p-multigrid preconditioner implementation for these discretizations and presents results for various flow problems. Benefits of the p-multigrid strategy relative to simpler, less expensive, preconditioners are observed for stiff systems, such as those arising from low-Mach number flows at high-order approximation. The p-multigrid preconditioner also shows excellent scalability for parallel computations. Finally, additional savings in both speed and memory occur with a matrix-free/reduced version of the preconditioner.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Physicochemical and Performance Characterization of Six Commercial Organic Solvent Nanofiltration Membranes

This work introduces a novel, gradient-free metamaterial design method based on Gaussian process regression to represent the density field of a unit cell. The dimension of the design space is determined by the covariance matrix dimension in the Gaussian process regression. We propose compressing this matrix using an autoencoder, enabling the decoder to generate the density field and effectively reduce the originally large design space to a lower-dimensional subspace. In this compressed space, we employ an active learning method, Bayesian Adaptive Direct Search (BADS), for efficient exploration of the design space. We demonstrate that for simple 2D designs aimed at maximizing unit cell stiffness, our method yields results comparable to those of standard topology optimization. Furthermore, we extend our approach to various mechanical problems, from linear elasticity to hyperelastic large deformation and elasto-plasticity under finite deformation, to 3D metamaterial design. This illustrates the method’s versatility and effectiveness across a range of applications.

Wu, Haoran↗
DOE OSTI2023

Low-velocity repeated impact behaviors of Polymer Fiber Reinforced Plastics (PFRPs)

Modern fiber-reinforced composites have become ubiquitous across multiple industries due to their excellent weight-to-strength ratio. Typically glass or carbon fibers are widely used. While Glass or Carbon Fiber-Reinforced Plastics (GFPRs or CFPRs) have good stiffness, strength, and fatigue life, they are expensive and difficult to recycle. Researchers are exploring Polymer Fiber-Reinforced Plastics (PFRPs) as an alternative solution. PFRPs utilize polymer fibers and a polymer matrix. A wide range of materials options is available, including low-cost thermoplastics such as polyethylene or polypropylene. These thermoplastics are easy to handle and recyclable without special methods. Manufacturing parts using thermoplastics are well-established as well. However, their mechanical performances have not been extensively studied compared to GFRPs or CFRPs. This study examines the low-velocity impact resistance of PFRPs made of different thermoplastics. The low-velocity impacts are applied through a drop-weight tower. The experiment is divided into two cases: a single perforation impact and low-energy repeated impacts. Energy absorption and the number of impacts to failure are measured. The results are compared to traditional CFRPs which have a thermoset matrix. The PFRPs demonstrate energy absorption capabilities comparable to or greater than those of CFRPs with respect to specimen thickness and density. Additionally, the PFRPs show significantly higher impacts-to-failure than the CFRPs in low-energy repeated impact tests. This is particularly noteworthy considering that the PFRPs are much simpler and more economical to manufacture than CFRPs. To further

Ko, Seunghyun↗
DOE OSTI2025

ORMATEX

The Oak Ridge Matrix Exponential (ORMATEX) software library contains methods to compute the matrix exponential and the action of the matrix exponential on a vector. Additionally, this package contains the related methods for the phi-functions which commonly appear in a wide class of exponential time integration methods. Krylov methods are provided to evaluate the matrix exponential-vector and phi-vector products for cases where the matrix is large and sparse. Utilizing these methods, ORMATEX implements performant exponential integrators for large systems of coupled ordinary differential equations (ODEs). The exponential time integration routines in ORMATEX are particularly suitable to large, stiff systems of equations. These routines may be utilized as a competitive alternative to classical implicit and explicit time integration schemes for certain classes of differential equations where the problem stiffness can be predominately explained by the linear terms.

Gurecky, William [Oak Ridge National Laboratory (O↗
DOE OSTI2024

Accurate additive manufacturing of lightweight and elastic carbons using plastic precursors

Despite groundbreaking advances in the additive manufacturing of polymers, metals, and ceramics, scaled and accurate production of structured carbons remains largely underdeveloped. This work reports a simple method to produce complex carbon materials with very low dimensional shrinkage from printed to carbonized state (less than 4%), using commercially available polypropylene precursors and a fused filament fabrication-based process. The control of macrostructural retention is enabled by the inclusion of fiber fillers regardless of the crosslinking degree of the polypropylene matrix, providing a significant advantage to directly control the density, porosity, and mechanical properties of 3D printed carbons. Using the same printed plastic precursors, different mechanical responses of derived carbons can be obtained, notably from stiff to highly compressible. This report harnesses the power of additive manufacturing for producing carbons with accurately controlled structure and properties, while enabling great opportunities for various applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Biophysical principles of choanoflagellate self-organization

Inspired by the patterns of multicellularity in choanoflagellates, the closest living relatives of animals, we quantify the biophysical processes underlying the morphogenesis of rosette colonies in the choanoflagellate Salpingoeca rosetta . We find that rosettes reproducibly transition from an early stage of 2-dimensional (2D) growth to a later stage of 3D growth, despite the underlying variability of the cell lineages. Our perturbative experiments demonstrate the fundamental importance of a basally secreted extracellular matrix (ECM) for rosette morphogenesis and show that the interaction of the ECM with cells in the colony physically constrains the packing of proliferating cells and, thus, controls colony shape. Simulations of a biophysically inspired model that accounts for the size and shape of the individual cells, the fraction of ECM, and its stiffness relative to that of the cells suffices to explain our observations and yields a morphospace consistent with observations across a range of multicellular choanoflagellate colonies. Overall, our biophysical perspective on rosette development complements previous genetic perspectives and, thus, helps illuminate the interplay between cell biology and physics in regulating morphogenesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

The Triple Catalytic Action of Tertiary Nitrogen Catalysts in Recyclable Epoxy-Anhydride Thermosets

The thermosetting polymer matrix in fiber reinforced composites is an important component for energy related applications, such as the lightweighting of vehicles or their use in wind and waterpower turbine blades, due to their ability to provide superior adhesion, stiffness, and applicability to a wide range of manufacturing processes. Despite these benefits, today's thermosets are widely considered to be unrecyclable; thus, there is a large interest in redesigning these materials to be inherently recyclable so that energy intensive production of fibers and monomers can be circumvented, bolstering composite manufacture supply chains. Polyester covalent adaptable networks (PECANs) are one such promising alternative to the incumbent, nonrecyclable epoxy-amine thermosets. PECANs can be formed from the ring-opening co-polymerization (ROCOP) of epoxy-anhydride monomer mixtures and subsequent curing at mild temperatures to exhibit similar performance to conventional epoxies while also possessing unique dynamic chemistries along the ester-hydroxyl backbone that are capable of transesterification and thus reprocessability. While significant advancements have been made in formulating these materials for improved mechanical properties or optimizing solvolysis and reprocessing strategies, less attention has been placed on the impact of the residing amine catalyst used to generate the polyester network. In this work, we evaluated the triple-catalytic efficacy of 12 tertiary amines that act as a curing (bulk ROCOP), a transesterification (internal bond exchange), and a deconstruction (methanolysis) catalyst for PECAN thermosets. Specifically, we first distinguish between chain-growth and step-growth polymerization mechanisms for epoxy-amine and epoxy-anhydride mechanisms. We also utilized density functional theory (DFT) to estimate the basicity (pKb) of each catalyst. Of the tested catalysts, the ROCOP of the studied PECAN network can be completed between 95 and 247 min (at 80 degrees C), with variable gelation phenomena. Additionally, the stress relaxation (transesterification metric) efficiency of the tested PECAN networks with alternative embedded catalysts ranged from 95% to 15% reduction in stress after 5 h at 200 degrees C, and the depolymerization efficacy ranged from 2.5% to 9.8% deconstruction after 36 h at 130 degrees C. Overall, the nitrogen-based moieties were demonstrated to influence polymerization kinetics, catalyze the dynamic transesterification exchange mechanism, and aid in the solvolysis of the thermosets at end-of-life.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Chemo-mechanical-microstructural coupling in the tarsus exoskeleton of the scorpion Scorpio palmatus

The multiscale structure of biomaterials enables their exceptional mechanical robustness, yet the impact of each constituent at their relevant length scale remains elusive. Here, we used SAXD analysis to expose the intact chitin-fiber architecture within the exoskeleton on a scorpion's claw, revealing varying orientations, including Bouligand and unidirectional regions different from other arthropod species. We uncovered the contribution of individual components’ constituent behavior to its mechanical properties from the micro- to the nanoscale. At the microscale, in-situ micromechanical experiments were used to determine site-specific stiffness, strength, and failure of the biocomposite due to fiber orientation, while metal-crosslinking of proteins is characterized via fluorescence maps. At the constituent level, combined with FEA simulations, we uncovered the behavior of fiber-matrix deformation with fiber diameter <53.7 nm and protein modulus in the range 1.4–11 MPa. The unveiled microstructure-mechanics relationship sheds light on the evolved structural functionalities and constituents' interactions within the scorpion cuticle.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Mechanically and Thermally Enhanced 3D-Printed Photocurable Polymer Nanocomposites Containing Functionalized Chitin Nanowhiskers by Stereolithography

Additive manufacturing, or simply 3D printing (3DP), where objects are built through layer-wise material deposition, has gained significant academic and industrial attention as a result of the development of advanced and functional materials requiring rapid, customized, and flexible solutions. In the context of green manufacturing, diversifying environmentally and economically sustainable material portfolios is an essential endeavor for the success of 3DP technology that uses widely available, highly valuable, and renewable materials. Here, we used stereolithography (SLA) for processing methacrylate-based photocurable resins containing crab shell-derived chitin nanowhiskers (CNWs), which are surface-functionalized by reactive acrylate groups. Results from full spectral, thermal, structural, and topological analyses corroborate not only the surface functionalization of CNWs but also indicate the presence of these photocurable CNW (pCNW) fillers in the 3D-printed nanocomposites. Owing to the strong interfacial bond induced by the physical and chemical crosslinking between the pCNW and methacrylate (MA) polymer matrix, the internally formulated nanocomposites displayed enhanced thermomechanical properties (e.g., storage modulus and glass transition temperature) compared to those of commercially available pure SLA resins. For instance, the inclusion of 0.5 wt % pCNW improved the tensile strength and stiffness to up to 78 and 71%, respectively, without compromising the toughness and ductility of the printed material. Accordingly, this result also evidences the compatibility between the filler and resin materials. Consequently, the formation of a crosslinked network in the nanocomposite structure results in a higher thermal stability and activation energy (i.e., up to ~79%) for all the hybrid materials than the pristine MA. Finally, the high-resolution SLA print features, dimensional accuracy, and enhanced mechanical performance of our microstructure-forming functionalized chitin-based nanocomposites make them promising materials for a wide range of robust and high-performance industrial applications.

36 MATERIALS SCIENCE↗