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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Interim Development of new Class B Code Case with Variable Design Lifetime and enhanced design rules to guard against cyclic structural failure mode

This report summarizes updates on the ongoing development of the new American Society of Mechanical Engineers Section III, Division 5, Class B rules to address the potential failure modes of Class B components. An initial design-by-analysis approach and supporting design rules are presented. The elastic-perfectly plastic (EPP) analysis approach has been adopted for primary stress limit and ratcheting check to prevent the component failure against the structural failure mode against primary load and strain accumulation due to cyclic loads. The creep-fatigue damage assessment uses explicitly defined elastic follow-up calculated from the stress concentration region of given component. Damage fraction calculation uses a novel coupled approach to capture the influence of the elastic follow-up and provide adequate conservatism for Class B components. The proposed Class B rules does not use the stress classification approach and uses the combined loads to assess component.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Deep-ultraviolet transparent conducting SrSnO 3 via heterostructure design

Exploration and advancements in ultrawide bandgap (UWBG) semiconductors are pivotal for next-generation high-power electronics and deep-ultraviolet (DUV) optoelectronics. Here, we used a thin heterostructure design to facilitate high conductivity due to the low electron mass and relatively weak electron-phonon coupling, while the atomically thin films ensured high transparency. We used a heterostructure comprising SrSnO 3 /La:SrSnO 3 /GdScO 3 (110), and applied electrostatic gating, which allow us to effectively separate charge carriers in SrSnO 3 from dopants and achieve phonon-limited transport behavior in strain-stabilized tetragonal SrSnO 3 . This led to a modulation of carrier density from 10 18 to 10 20 cm −3 , with room temperature mobilities ranging from 40 to 140 cm 2 V −1 s −1 . The phonon-limited mobility, calculated from first principles, closely matched experimental results, suggesting that room temperature mobility could be further increased with higher electron density. In addition, the sample exhibited 85% optical transparency at a 300-nm wavelength. These findings highlight the potential of heterostructure design for transparent UWBG semiconductor applications, especially in DUV regime.

Science & Technology - Other Topics↗
DOE OSTI2024

Design of biphenylene-derived tunable dirac materials

The exploration of carbon allotropes has unveiled a series of two-dimensional (2D) materials with unique electronic and mechanical properties, yet the need for stable structures with tailored electronic properties persists. Here, in this study, we introduce a new class of 2D carbon allotropes derived from the biphenylene network (BPN), incorporating acetylenic linkages to tune their structural and electronic characteristics. Through density functional theory calculations, we identified ten novel BPN-derived structures that exhibit both energetic and dynamic stability, confirmed by cohesive energy and phonon spectrum analyses. Among them, BPN-02 and BPN04 are metallic, featuring critically-tilted type-III Dirac cones under ~ 5 % biaxial strain, while BPN-22 is a semiconductor with a band gap of 0.95 eV and exhibits highly anisotropic carrier mobility. Additionally, these structures demonstrate significant anisotropy in their elastic properties, further distinguishing them from other 2D carbon materials like graphene. Our findings suggest that these novel BPN-based structures have strong potential for next-generation electronic and optoelectronic applications, providing new avenues for the design and synthesis of advanced carbon materials.

2D carbon allotropes↗
DOE OSTI2022

Effect of microstructure on fatigue crack propagation in additive manufactured nickel-based superalloy Haynes 282: an experiment and crystal plasticity study

Haynes 282 is a γ' precipitation-strengthened nickel-based superalloy known for its exceptional high-temperature creep resistance and excellent fabricability. Recent advancements in powder-bed fusion-based additive manufacturing (PBF-AM) have enabled the fabrication of Haynes 282 with accurate, site-specific control of the grain orientation and morphology at the microscale. This ability opens up new avenues for microstructure design, to improve the material’s fatigue crack resistance and service life. This paper investigates the fatigue crack growth behavior of hybrid microstructure Haynes 282 fabricated via PBF-AM. Previous experiments revealed a higher crack propagation rate in the coarse columnar-grained microstructural regions when compared against fine-grained areas. Here, a strain gradient crystal plasticity model was adapted to study the fracture-related mechanical fields at the crack tip in the two microstructures. The simulation results showed a consistent influence of grain structure and texture on crack propagation, as was seen in the experiment. The model analysis revealed higher crack propagation driving force along crack direction in the coarse-grained sharply textured microstructure and higher driving force for crack kinking in fine-grained more diffusely textured microstructure, which is ascribed to the combined effect of yield stress, hardening rate, texture and grain morphology. The presented modeling approach will facilitate the development of the AM-based accurate microstructure design by deepening the fundamental study in AM-specific microstructure-properties relations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Evolution of microstructure and strength of a high entropy alloy undergoing the strain-induced martensitic transformation

In a recent work, we have reported outstanding strength and work hardening exhibited by a metastable high entropy alloy (HEA), Fe 42 Mn 28 Co 10 Cr 15 Si 5 (in at. %), undergoing the strain-induced martensitic transformation from metastable gamma austenite (γ) to stable epsilon martensite (ε). However, the alloy exhibited poor ductility, which was attributed to the presence of the brittle sigma (σ) phase in its microstructure. The present work reports the evolution of microstructure, strength, and ductility of a similar HEA, Fe 38.5 Mn 20 Co 20 Cr 15 Si 5 Cu 1.5 (in at. %), designed to suppress the formation of σ phase. A cast and then rolled plate of the alloy was processed into four conditions by annealing for 10 and 30 min at 1100 °C and by friction stir processing (FSP) at tool rotation rates of 150 and 400 revolutions per minute (RPM) to facilitate detailed examinations of variable initial grain structures. Neutron diffraction and electron microscopy were employed to characterize the microstructure and texture evolution. The initial materials had variable grain size but nearly 100% γ structure. Diffusionless strain induced γ→ε phase transformation took place under compression with higher rate initially and slower rate at the later stages of deformation, independent on the initial grain size. The transformation facilitated part of plastic strain accommodation and rapid strain hardening owing to a transformation-induced dynamic Hall-Petch-type barrier effect, increase in dislocation density, and texture. Here, the peak strength of nearly 2 GPa was achieved under compression using the structure created by double pass FSP (150 RPM followed by 150 RPM). Remarkably, the tensile elongation exhibited by the alloy was nearly 20% with fracture surfaces featuring a combination of ductile dimples and cleavage.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Structural Characterization of Deployed Thermoplastic and Thermoset Composite Tidal Turbine Blades

The National Renewable Energy Laboratory worked with Verdant Power to manufacture, and characterize, novel thermoplastic composite blades on their Gen5d 5 m diameter turbines at the Roosevelt Island Tidal Energy (RITE) site in the East River in N.Y. to demonstrate a low-cost manufacturing process for marine energy structures. Verdant had designed, manufactured, and deployed epoxy thermoset composite blades on three Gen5d turbines in October 2020. At a maintenance cycle in May 2021, a Gen5d turbine equipped with the NREL thermoplastic blades was deployed and retrieved in October 2021. Modal, static and fatigue structural characterization was performed on both blade types before and after the deployment. The static and modal test results showed that the thermoplastic blades were slightly stiffer than the epoxy blades both dry and after the deployment. The epoxy blades had about 8% increase in strain at the applied load after the deployment, whereas the thermoplastic blade strains were not changed significantly. Ultimately the thermoplastic blade failed during fatigue testing due to a crack which is thought to have initiated between the internal foam and the laminate at the location of the internal instrumentation. The Verdant Power Gen5d epoxy blades did not have this internal instrumentation and did not have this failure, performing adequately through the operational period. A lack of design information and fatigue data for both the thermoplastic laminates and the adhesive used means that further work is needed to fully understand his failure and the root cause analysis is ongoing. This paper provides details on the thermoplastic blade manufacturing, materials, test methodology and results.

17 WIND ENERGY↗
DOE OSTI2024

Integrated design of aluminum-enriched high-entropy refractory B2 alloys with synergy of high strength and ductility

Refractory high-entropy alloys (RHEAs) are promising high-temperature structural materials. Their large compositional space poses great design challenges for phase control and high strength-ductility synergy. The present research pioneers using integrated high-throughput machine learning with Monte Carlo simulations supplemented by ab initio calculations to effectively navigate phase selection and mechanical property predictions, developing single-phase ordered B2 aluminum-enriched RHEAs (Al-RHEAs) demonstrating high strength and ductility. These Al-RHEAs achieve remarkable mechanical properties, including compressive yield strengths up to 1.7 gigapascals, fracture strains exceeding 50%, and notable high-temperature strength retention. They also demonstrate a tensile yield strength of 1.0 gigapascals with a ductility of 9%, albeit with B2 ordering. Furthermore, we identify valence electron count domains for alloy ductility and brittleness with the explanation from density functional theory and provide crucial insights into elemental influence on atomic ordering and mechanical performance. The work sets forth a strategic blueprint for high-throughput alloy design and reveals fundamental principles governing the mechanical properties of advanced structural alloys.

Science & Technology - Other Topics↗
DOE OSTI2021

Toward efficient elastocaloric systems: Predicting material thermal properties with high fidelity

A critical need to accurately model thermal behaviors of materials that exhibit strong elastocaloric effects, including predicting the effects themselves at varying stresses and temperatures, has been addressed using a simple and versatile physics-based approach. The key factor leading to the high precision is approximating the underlying elastic phase transition as a smooth modification of lattice entropy between coexisting phases. Once the phase transformation entropy is modeled to match experimentally measured strain as a function of temperature and applied stress, estimating the heat capacity, entropy, and isothermal entropy and adiabatic temperature changes in temperature-stress coordinates becomes straightforward. This approach provides insight into how thermal properties of elastocaloric materials vary through the transition based on strain measurements that are simple to perform and interpret. In addition to aiding in the rapid evaluation of new and existing elastocaloric materials, this advance is expected to prove invaluable for accurate heat transfer modeling aimed at designing efficient regenerative elastocaloric cooling devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Achieving strength-ductility synergy in hierarchical aluminum metal matrix composites via friction extrusion

We report the fabrication of aluminum metal matrix composites (Al-MMCs) with hierarchical architectures via friction extrusion (FE), a scalable, single-step, solid-phase processing technique. Precursor pucks containing 0–15 vol% Al₂O₃ particles were extruded into fully dense AA6061-based composite rods. The FE induced a tree-ring-like architecture of concentric particle-rich and particle-lean bands, yielding refined grains in particle-rich regions and coarser grains elsewhere. At the nanoscale, magnesium in AA6061 selectively reacted with Al₂O₃ particles to form virus-like nodes, improving particle–matrix bonding. This multi-scale design strategy, combining mesoscale architecture, microscale grain refinement, and nanoscale interface engineering overcome the conventional strength–ductility trade-off. Tensile testing showed substantial increases in yield and ultimate tensile strengths while retaining high ductility ( > 20%). Enhanced strain hardening, driven by the accumulation of geometrically necessary dislocations at interfaces, contributed to the performance. The hierarchical microstructure produced by FE demonstrates a promising pathway for scalable fabrication of lightweight MMCs for structural applications requiring a combined high strength and ductility.

Kalsar, Rajib [Pacific Northwest National Laborato↗
DOE OSTI2022

Characterization of the Fusion Zone in Laser Beam Welds on SS304L

Designing a welded joint requires consideration of the welding process, component/assembly structure and weld geometry, material composition, properties, and desired joint performance. The designer must also specify a set of acceptance criteria used to evaluate the welds. This study was conducted to support the design team responsible for specifying the spot weld profile by investigating the relationship between weld process parameters and the weld geometry and properties to further inform design optimization. The subjects of this study are two thin stainless steel 304L (SS304L) components joined by Laser Beam Welding (LBW). The components are the Housing, which contains flexible circuitry, and the Cover that protects the circuitry during handling, installation, and under service loads. Figure 1 illustrates coupon versions of the Cover and Housing used to simulate the interface between these components for weld testing. These coupon representations of assembly components were designed to match the material and relevant geometry related to the welded joint while other features not relevant to the welded joint are excluded.The objective of this study was to characterize the sensitivity of the weld geometry and mechanical properties to the input weld parameters to inform further Finite Element Analysis (FEA) efforts in balancing joint strength against assembly deformation caused by the welding process. Characterization was accomplished by varying laser welding parameters around the current design values and measuring weld geometry on the cross-sections. Nanoindentation with a spherical and flat-ended tip was used on polished section cuts of the weld to obtain direct estimates of the stress-strain response of the Fusion Zone (FZ) for comparison to the Base Metal (BM).

42 ENGINEERING↗
DOE OSTI2023

Sulfonamidoboronic Acids as “Cross-Class” Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii

Acinetobacter baumannii is a Gram-negative organism listed as an urgent threat pathogen by the World Health Organization (WHO). Carbapenem-resistant A. baumannii (CRAB), especially, present therapeutic challenges due to complex mechanisms of resistance to β-lactams. One of the most important mechanisms is the production of β-lactamase enzymes capable of hydrolyzing β-lactam antibiotics. Co-expression of multiple classes of β-lactamases is present in CRAB; therefore, the design and synthesis of “cross-class” inhibitors is an important strategy to preserve the efficacy of currently available antibiotics. To identify new, nonclassical β-lactamase inhibitors, we previously identified a sulfonamidomethaneboronic acid CR167 active against Acinetobacter-derived class C β-lactamases (ADC-7). The compound demonstrated affinity for ADC-7 with a K i = 160 nM and proved to be able to decrease MIC values of ceftazidime and cefotaxime in different bacterial strains. Herein, we describe the activity of CR167 against other β-lactamases in A. baumannii: the cefepime-hydrolysing class C extended-spectrum β-lactamase (ESAC) ADC-33 and the carbapenem-hydrolyzing OXA-24/40 (class D). These investigations demonstrate CR167 as a valuable cross-class (C and D) inhibitor, and the paper describes our attempts to further improve its activity. Five chiral analogues of CR167 were rationally designed and synthesized. The structures of OXA-24/40 and ADC-33 in complex with CR167 and select chiral analogues were obtained. The structure activity relationships (SARs) are highlighted, offering insights into the main determinants for cross-class C/D inhibitors and impetus for novel drug design.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

High compressive energy absorption and shape recovery behavior of additively manufactured textile-inspired cylindrical braided metamaterials

Mechanical metamaterials (MMs) are engineered structures with unique mechanical properties that arise from their unique spatial arrangement or lattice-like structure. The most commonly designed MMs such as honeycomb and re-entrant auxetics are prone to failure at the sharp corners and weak joints due to the increased stress concentration under deformation. To mitigate this challenge, braided MM structures involving intertwining threads of nylon—forming curved unit cells—have been studied. These textile-inspired cylindrical braided metamaterials (CBMMs) with contrasting unit cells, namely diamond and regular CBMMs, were fabricated by 3D printing. The layer-by-layer deposited structure built by fused filament fabrication delivered an assembly of overlapped threads that are fused at the contact point. To understand deformation behavior of these MMs, finite element models were developed for various load scenarios including quasi-static compression, cyclic and creep loads at room temperature. Stress distribution, deformation mechanisms, and failure modes were analyzed and validated by experiments to analyze the geometries and associated performance. The diamond CBMMs showed stress softening at 30 % compressive strain, withstanding a load of ∼440 N, whereas the regular CBMMs at 50 % strain experienced ∼250 N. The diamond CBMMs delivered higher creep resistance under sustained load and better energy absorption under cyclic loading than the regular CBMMs. The latter, however, exhibited 94 % shape recovery in contrast to 88 % recovery in former prototype during their first cyclic load. In conclusion, this study helps design mechanical lightweight devices that endure significant sustained load and exhibit enhanced energy absorption and shape recovery characteristics in cyclic loading.

Creep↗
DOE OSTI2024

Fuel Behavior Implications of Reactor Design Choices in Pressurized Water SMRs

Small pressurized water reactors (PWRs) can feature boron free operation, natural circulation mode, reduced height assemblies and/or long refueling cycles. This paper attempts to explore core design optimization for each of these design evolutions. In consequence, five core design layouts are developed incorporating boron free operation with continuous control rods insertion, natural circulation with low burnup/low power density design, natural circulation with high burnup/low power density design, forced circulation with standard core power density design, and forced circulation with high power density design. These cores’ performance is compared to a standard 4-loop PWR. The design process aims to improve the fuel cycle cost under safety constraints through core design optimization using CASMO4E/SIMULATE3 reactor physics codes and FRAPCON4.1 fuel performance assessment tool. Core modeling assumes standard 17x17 PWR fuel assemblies loaded with low enriched uranium (LEU) up to 5wt% or LEU+ (i.e., below 10wt% enrichment) pellets with gadolinium oxide (Gd2O3) as the burnable poison. Satisfactory core and fuel performances are obtained for all the designed cores under steady state and considered overpower transients. For low power density operation, long cycle lengths are achieved reaching a 2.5- and a 5-year cycles and peak rod-average burnup is pushed to 83 MWd/kgU. Other cycle lengths are maintained at 18 months. Boron free operation exhibits the ability to achieve longer cycle lengths at the cost of higher peaking factors leading to high local power and fuel temperatures which prevents sizable power uprates and is deemed uneconomical. Fuel assembly height reduction allows coolant velocity retrofit which enables higher core power density without violating structural integrity of the fuel assembly. As a result, a core power density of 123 kW/l is reached where total cladding hoop strain becomes the limiting parameter.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Modulating Oxide‐Based Quantum Materials by Ion Implantation

Ion implantation has emerged as a powerful tool for manipulating and investigating oxide quantum materials, where strong electron correlations give rise to exotic phases and functionalities. This Review examines how controlled ion bombardment enables targeted modulation of structural, electronic, and magnetic properties in complex oxides. Recent advances in ion beam techniques is analyzed that provide unprecedented control over defect profiles, from point defects to extended damage cascades. In application, ion irradiation has demonstrated the ability to tune quantum phenomena including metal‐insulator transitions, magnetism, and superconductivity through selective doping, defect creation, and lattice strain. The ability to write quantum states with nanoscale precision using focused ion beams is opening new paths for quantum device fabrication. Challenges in understanding radiation damage mechanisms in strongly correlated systems is discussed, and identify opportunities for designing quantum functionality through defect‐engineering approaches. The technique's demonstrated capability to write quantum states with nanoscale precision, combined with its compatibility with existing semiconductor processing infrastructure, suggests a clear pathway for translating fundamental discoveries in quantum materials into practical technological applications.

defect engineering↗
DOE OSTI2024

Robustness of magnetocrystalline anisotropy and coercivity in Fe–Co–B

As a potential candidate for critical chemical element free permanent magnet, (Fe 0.7 Co 0.3 ) 2 B, shows promising intrinsic magnetic properties, including large magnetization, high Curie temperature and moderate magnetocrystalline anisotropy (MCA). Still, the coercivity that has been achieved is relatively low. To understand and improve coercivity, here we study the robustness of MCA related to the fluctuation of chemical composition and the structural distortion and its effect on coercivity in (Fe 0.7 Co 0.3 ) 2 B from first principles DFT (density functional theory) calculation and micromagnetic simulation. A fluctuation of cobalt content of 10%, or 1% isotropic lattice strain, or 2% tetragonal distortion reduces MCA energy up to 30%. By considering randomly distributed local MCA energy reduction up to 30%, the calculated coercivity of anisotropic bulk magnets reduced from 3.6 kOe to 2.2 kOe. Rational microstructure design, such as grain size refinement and development of strong crystal texture of MCA easy-axis (i.e., degree of alignment for (Fe 0.7 Co 0.3 ) 2 B grains), can enhance coercivity and mitigate the effect of local MCA reduction. In addition to acceptable intrinsic magnetic properties, the promising hard magnetic phase needs good MCA robustness to facilitate the development of practical magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Probing the limits of genetic recoding using multi-omics-guided evolution

Engineering the genetic code—by reassigning multiple of the 64 natural codons—enables making organisms resistant to all viruses, preventing genetic information exchange, and allowing the biosynthesis of genetically encoded unnatural polymers. However, synonymous codon replacement—recoding—is frequently lethal, and how recoding impacts fitness remains poorly explored. Here, we explore these effects using genome synthesis, directed evolution, and genome-transcriptome-translatome-proteome co-profiling on multiple synthetic Escherichia coli genomes. We construct six partially recoded E. coli strains bearing up to 45.8% of a synthetic genome with a deleterious 57-codon genetic code. As our analyses revealed widespread defects—including unassigned codons in Syn61 and Syn57—we apply multi-omics to revise our genome design and mitigate defects. Using multi-omics, we show that recoding induces transcriptional and translational changes leading to fitness defects under hundreds of conditions. Finally, we develop a multi-omics-guided evolution strategy that rapidly restores fitness, enabling genome synthesis with radical changes.

Nyerges, Akos [Harvard Medical School, Boston, MA ↗