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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

On electrolyte wetting through lithium-ion battery separators

The wettability by electrolyte is a critical characteristic of lithium-ion battery separators since electrolyte absorption is essential for ionic transport. Most importantly, fast absorption of electrolyte facilitates the electrolyte filling and wetting processes during the battery assembly. However, theoretical or experimental investigation of separator wettability has rarely been reported, and thus very little quantitative data can be found in the existing literature. Here, innovative experimental techniques and associated analytical models have been developed to fully characterize the electrolyte wetting behavior through battery separators. Both in-plane and through-plane imbibition processes are investigated. The results show that, electrolyte needs significantly longer time to wet separators than it does for commercial electrodes. The wetting rate depends significantly on the pore size, porosity, and micro-structure of the separators. Electrolyte in-plane wetting is only observed in the separators manufactured by the wet process. Increasing separator porosity and pore size is shown to be substantially increasing through-plane wetting rate. In addition, ceramic coating is shown to increase in-plane wetting but retard through-plane wetting.

25 ENERGY STORAGE↗
DOE OSTI2021

Recovery of Forest Structure Following Large-Scale Windthrows in the Northwestern Amazon

The dynamics of forest recovery after windthrows (i.e., broken or uprooted trees by wind) are poorly understood in tropical forests. The Northwestern Amazon (NWA) is characterized by a higher occurrence of windthrows, greater rainfall, and higher annual tree mortality rates (~2%) than the Central Amazon (CA). We combined forest inventory data from three sites in the Iquitos region of Peru, with recovery periods spanning 2, 12, and 22 years following windthrow events. Study sites and sampling areas were selected by assessing the windthrow severity using remote sensing. At each site, we recorded all trees with a diameter at breast height (DBH) ≥ 10 cm along transects, capturing the range of windthrow severity from old-growth to highly disturbed (mortality > 60%) forest. Across all damage classes, tree density and basal area recovered to >90% of the old-growth values after 20 years. Aboveground biomass (AGB) in old-growth forest was 380 (±156) Mg ha -1 . In extremely disturbed areas, AGB was still reduced to 163 (±68) Mg ha -1 after 2 years and 323 (± 139) Mg ha -1 after 12 years. This recovery rate is ~50% faster than that reported for Central Amazon forests. The faster recovery of forest structure in our study region may be a function of its higher productivity and adaptability to more frequent and severe windthrows. These varying rates of recovery highlight the importance of extreme wind and rainfall on shaping gradients of forest structure in the Amazon, and the different vulnerabilities of these forests to natural disturbances whose severity and frequency are being altered by climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Flow field characteristics of a 127-pin rod bundle with hexagonal spacer grids

A determination of nominal flow phenomena in liquid metal fast reactor (LMFR) fuel assemblies is critical toward generation-IV reactor development. Axially positioned spacer grids are used to maintain the geometry of hexagonal rod bundles and simultaneously introduce perturbations in the flow. Three-dimensional (3D) printed asymmetric honeycomb spacer grids were installed in a prototypical 127-pin LMFR fuel assembly model to study complex fluid dynamics interactions induced by the spacer grid and rods. To characterize flow dynamics in this intricate geometry, time-resolved particle image velocimetry (TR-PIV) using the matched-index-of-refraction method was employed to obtain non-intrusive velocity measurements for three axial planes (one near-wall and two interior planes) at a Reynolds number of 6000. The statistical TR-PIV results compared sub-channel-dependent normalized time-averaged velocity, velocity fluctuations, Reynolds stress, vorticity, and turbulence kinetic energy distributions. TR-PIV line profiles characterized downstream spacer grid flow dynamics. Two-point spatial and spatial–temporal cross-correlation fields revealed local coherent structures and quantified convection velocities of traveling vortices. Spatial–temporal decomposition using dynamic mode decomposition (DMD) applied to the near-wall vorticity fields extracted turbulent structures and flow instabilities in the wake region of the spacer grid, along with their decay and frequency rates. Reduced-order velocity fields from DMD reconstructions identified the most energy-containing coherent structures persistent in the near-wall region. This research provides experimental data sets and analyses of flow behavior in rod bundles with hexagonal spacer grids. In conclusion, the results are critical toward LMFR design and geometry optimization, crucial for the validation of computational fluid dynamics and reduced-order flow models.

42 ENGINEERING↗
DOE OSTI2023

Universal behavior in fragmenting brittle, isotropic solids across material properties

A bonded particle model is used to explore how variations in the material properties of brittle, isotropic solids affect critical behavior in fragmentation. To control material properties, a model is proposed which includes breakable two- and three-body particle interactions to calibrate elastic moduli and mode I and mode II fracture toughnesses. In the quasistatic limit, fragmentation leads to a power-law distribution of grain sizes which is truncated at a maximum grain mass that grows as a nontrivial power of system size. In the high-rate limit, truncation occurs at a mass that decreases as a power of increasing rate. A scaling description is used to characterize this behavior by collapsing the mean-square grain mass across rates and system sizes. Consistent scaling persists across all material properties studied, although there are differences in the evolution of grain size distributions with strain as the initial number of grains at fracture and their subsequent rate of production depend on Poisson's ratio. Importantly, this evolving granular structure is found to induce a unique rheology where the ratio of the shear stress to pressure, an internal friction coefficient, decays approximately as the logarithm of increasing strain rate. The stress ratio also decreases at all rates with increasing strain as fragmentation progresses and depends on elastic properties of the solid.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of processing parameters and build orientation on microstructure and performance of AISI stainless steel 304L made with selective laser melting under different strain rates

Selective laser melting (SLM) process brings diverse potentials on geometry flexibility; therefore, it is more and more widespread to be employed in fabrication metal alloys served for industries. Nonetheless, a material characterization study is desired to carry on for better understanding the correlation among process, structure, microstructure, and performance. In the current study, the SLM fabricated AISI stainless steel 304L was fabricated with different process parameters and built orientations (horizontal, inclined, and vertical. The tensile behavior was evaluated under different strain rates (0.0001 /s, 0.001 /s, 0.01 /s, and 0.1 /s) and compared to the commercial cold-rolled and annealed counterpart. Grain structures, tensile strength, elongation-to-failure, strain rate sensitivity, work hardening, and fractographic analysis were evaluated in terms of the effect of energy density, build orientation, and strain rate. The output indicates the tensile strength increases with increasing strain rates. On the contrary, the elongation-to-failure shows a decreasing trend with strain rates. Tensile properties of specimens built in the horizontal and inclined orientations are more sensitive to strain rates due to the smaller dimension of grain structures. Tensile anisotropy depends on the energy input, where a high energy density could yield a strong build orientation-dependent anisotropy. Hall-Petch relationship is validated to explain the mechanical anisotropy in different built orientations for SLM alloys. The strain hardening exponent and work hardening rate are demonstrated to be positively correlated, and they increase with smaller grain sizes. The fine dimple features indicate the ductile fracture mode regardless of strain rates. The size of the ductile dimples seems to depend on the strain rates and build orientations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modifying the resolving cysteine affects the structure and hydrogen peroxide reactivity of peroxiredoxin 2

Peroxiredoxin 2 (Prdx2) is a thiol peroxidase with an active site Cys (C52) that reacts rapidly with H 2 O 2 and other peroxides. The sulfenic acid product condenses with the resolving Cys (C172) to form a disulfide which is recycled by thioredoxin or GSH via mixed disulfide intermediates or undergoes hyperoxidation to the sulfinic acid. C172 lies near the C terminus, outside the active site. It is not established whether structural changes in this region, such as mixed disulfide formation, affect H 2 O 2 reactivity. To investigate, we designed mutants to cause minimal (C172S) or substantial (C172D and C172W) structural disruption. Stopped flow kinetics and mass spectrometry showed that mutation to Ser had minimal effect on rates of oxidation and hyperoxidation, whereas Asp and Trp decreased both by 100-fold. To relate to structural changes, we solved the crystal structures of reduced WT and C172S Prdx2. The WT structure is highly similar to that of the published hyperoxidized form. C172S is closely related but more flexible and as demonstrated by size exclusion chromatography and analytical ultracentrifugation, a weaker decamer. Size exclusion chromatography and analytical ultracentrifugation showed that the C172D and C172W mutants are also weaker decamers than WT, and small-angle X-ray scattering analysis indicated greater flexibility with partially unstructured regions consistent with C-terminal unfolding. We propose that these structural changes around C172 negatively impact the active site geometry to decrease reactivity with H 2 O 2 . This is relevant for Prdx turnover as intermediate mixed disulfides with C172 would also be disruptive and could potentially react with peroxides before resolution is complete.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Water Promotion (or Inhibition) of Condensation Reactions Depends on Exposed Cerium Oxide Catalyst Facets

Nanoparticles with well-defined facets enable quantitative correlations between surface features and catalytic activity. In this work, we explore the role of geometric and acid–base properties in the mechanism of aldol condensation catalyzed by ceria nanoshapes. In the crucial C–C coupling step, the two carbonyl adsorbates are bound to two adjacent cations. On the CeO 2 (110) plane, all atoms lie on the same layer, favoring the interaction between adsorbates and facilitating the bimolecular C–C coupling. Thus, the initial unimolecular deprotonation is rate-limiting. In contrast, the (100) and (111) planes have an open structure with O on the top layer and Ce on the layer below. The former O layer interferes between adsorbates linked to Ce sites, making the C–C coupling rate-limiting. Water helps in overcoming this spatial hindrance by remote bond polarization via H-bonds. Therefore, water promotion is only observed on those planes for which the bimolecular step is rate-limiting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Reduced Graphene Oxide Aerogels with Functionalization-Mediated Disordered Stacking for Sodium-Ion Batteries

Surface modified reduced graphene oxide (rGO) aerogels were synthesized using the hydrothermal method. Ethylene diamine (EDA) and α-cyclodextrin (CD) were used to functionalize the surface of the graphene oxide layers. The oxygen reduction and surface modification occurred in-situ during the hydrothermal self-assembly process. The chemical functionality and structure of the resulting ethylene diamine modified (rGO-EDA) and cyclodextrin modified (rGO-CD) aerogels as well as of the pristine unmodified rGO aerogel were studied using XPS, SEM, XRD, and SANS techniques. The overall surface composition showed a significant decrease in the oxygen content for all synthesized aerogels. The surface modified aerogels were characterized by a disordered stacking of the assembled rGO layers. The surface functionalities resulted in a broad distribution of the interlayer spacing and introduced structural heterogeneities. Such disordered structures can enable a better adsorption mechanism of the sodium ions. Coin cells based on the synthesized aerogels and sodium metal were assembled and tested at several charge and discharge rates. The correlation between the surface functionality of the rGO, the induced structural heterogeneities due to the disordered stacking, and the electrochemical performance of sodium-ion batteries were investigated. Operando XRD measurements were carried out during the battery cycling to investigate the adsorption or intercalation nature of the sodiation mechanism.

25 ENERGY STORAGE↗
DOE OSTI2022

Evolution of micro-pores in Ni–Cr alloys via molten salt dealloying

Porous materials with high specific surface area, high porosity, and high electrical conductivity are promising materials for functional applications, including catalysis, sensing, and energy storage. Molten salt dealloying was recently demonstrated in microwires as an alternative method to fabricate porous structures. The method takes advantage of the selective dissolution process introduced by impurities often observed in molten salt corrosion. This work further investigates molten salt dealloying in bulk Ni–20Cr alloy in both KCl–MgCl 2 and KCl–NaCl salts at 700 °C, using scanning electron microscopy, energy dispersive spectroscopy, and X-ray diffraction (XRD), as well as synchrotron X-ray nano-tomography. Micro-sized pores with irregular shapes and sizes ranging from sub-micron to several microns and ligaments formed during the process, while the molten salt dealloying was found to progress several microns into the bulk materials within 1–16 h, a relatively short reaction time, enhancing the practicality of using the method for synthesis. The ligament size increased from ~ 0.7 μm to ~ 1.3 μm in KCl–MgCl 2 from 1 to 16 h due to coarsening, while remaining ~ 0.4 μm in KCl–NaCl during 16 h of exposure. The XRD analysis shows that the corrosion occurred primarily near the surface of the bulk sample, and Cr 2 O 3 was identified as a corrosion product when the reaction was conducted in an air environment (controlled amount sealed in capillaries); thus surface oxides are likely to slow the morphological coarsening rate by hindering the surface diffusion in the dealloyed structure. 3D-connected pores and grain boundary corrosion were visualized by synchrotron X-ray nano-tomography. This study provides insights into the morphological and chemical evolution of molten salt dealloying in bulk materials, with a connection to molten salt corrosion concerns in the design of next-generation nuclear and solar energy power plants.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Sovereign Credit Rating Processes Adapted to Critical Infrastructure Cyber Risk Assessment

United States critical infrastructure entities are increasingly targeted by motivated and capable threat actors and must be prepared to assess and treat a diverse range of cyber risks. Consequently, this necessitates some form of analytical process to evaluate risks and inform cyber security investment decisions. A potential solution for structuring cyber risk evaluation exists within the field of sovereign credit ratings – where agencies employ mature approaches that integrate quantitative and qualitative data to produce a singular value of assessment. Adapting such approaches, we present a novel criterion and methodology for measuring and communicating the likelihood element of cyber risk. The methodology is composed of three sequential phases: a quantitative baseline organized by distinct capability frames, a bounded qualitative adjustment per frame, and a greater-bounded qualitative adjustment spanning the entire process. The process culminates in publication of a cyber capability rating that communicates a critical infrastructure entity’s ability and willingness to mitigate discontinuous function due to cyberattack.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2024

UHT-CAMANCHE: Ultra-High Temperature Ceramic Additively Manufactured Compact Heat Exchangers

The conceptual basis for this project is the convergence of advanced ultra-high temperature ceramic materials and additive manufacturing technologies to produce compact ceramic heat exchangers with complex internal flow path geometries. Task areas were broadly divided into materials and manufacturing development, heat exchanger design, component testing, and techno-economic analysis. Technical challenges included the design and commissioning of new test facilities, improving feature resolution and deposition rate of ceramic additive manufacturing techniques, establishing process-structure-property relationships in additively manufactured ultra-high temperature ceramics, and assessing high temperature materials compatibility in CO 2 environments. The primary candidate material evaluated in this work is a composite comprising zirconium diboride (ZrB2) with 30 vol. % silicon carbide (SiC) which was selected based on its desirable combination of high temperature mechanical properties, high thermal and electrical conductivities, and oxidation resistance. High solids loaded ZrB2-SiC pastes suitable for extrusion-based additive manufacturing were developed for the first time as part of this work. Materials compatibility studies indicate this material oxidizes in CO 2 to form a protective borosilicate scale which transforms to pure silica above 1000°C. Parts made by additive manufacturing displayed enlarged grain sizes produced by pressureless sintering as compared to hot-press sintering. Increases in microstructural coarseness have outsized effect on oxidation performance up to 1400°C due to incomplete oxidation of coarse large diameter SiC particles resulting in lower amounts of silica that apparently inhibit protective scale formation. Additive manufacturing as a forming technique did not appear to significantly affect thermal conductivity, hardness, or elastic modulus, though flexural strength was reduced by half or more as compared to traditionally hot-pressed materials. This effect was attributed to the presence of strength-limiting flaws (ca. 40 microns in size) originating from extrudate inhomogeneities that could potentially be eliminated with further process improvements. Attempts to attain economies of scale for production of multi-kilowatt scale heat exchangers by ceramic additive manufacturing proved difficult. Lack of automation and a modest extrusion rate while retaining fine feature resolution made the overall process labor intensive and limited experimental throughput. A number of full-scale components were taken through post-process heat treatments including drying, binder burnout, and sintering; however, none survived without significant flaws or cracks. Therefore, no operational data from a newly installed heat exchanger test loop were able to be obtained during the performance period. Continued research and development is recommended to improve economic feasibility of ceramic additive manufacturing by standardizing the use of advanced sensors, artificial intelligence, and automation tools to reduce associated labor costs and accelerate production rates. The materials and manufacturing techniques demonstrated in this work are likely to find applications in defense and energy applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Interplay between element-specific distortions and electrocatalytic oxygen evolution for cobalt–iron hydroxides

A microscopic understanding of how Fe-doping of Co(OH) 2 improves electrocatalytic oxygen evolution remains elusive. We study two Co 1–x Fex(OH) 2 series that differ in fabrication protocol and find composition alone poorly correlates to catalyst performance. Structural descriptors extracted using X-ray diffraction, X-ray absorption spectroscopy, and Raman spectroscopy reveal element-specific distortions in Co 1–x Fe x (OH) 2 . These structural descriptors are composition-dependent within individual sample series but inconsistent across fabrication protocols, revealing fabrication-dependence in catalyst microstructure. Correlations between structural parameters from different techniques show that Fe–O resists bond length changes, forcing distortion of Co environments. We find the difference in O–M–O bond angles between Co and Fe sites to correlate with electrocatalytic behavior across both sample series, which we attribute to asymmetric distortion of potential energy surfaces for the Co(III) to Co(IV) oxidation. A Tafel slope consistent with a rate-limiting step without electron transfer emerges as the O–Co–O angle decreases, implying a distortion-induced transition in the rate-limiting step. The fabrication dependence of electronic and bonding structure in the catalysts should be considered in theoretical and high-throughput analyses of electrocatalyst materials.

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

Crack Growth Rate and Fracture Toughness Tests on Irradiated Ex-Plant Materials

The performance of structural materials is critical for the safe and economic operation of light water reactors. Exposed to neutron irradiation during service, the reactor core internal materials can undergo significant microstructural and microchemical changes, leading to irradiation hardening and embrittlement. To ensure the structural integrity and functionality of nuclear reactor components during long-term operation, material degradation and damage mechanisms must be understood and managed adequately. In this work, irradiated materials harvested from the decommissioned Zorita reactor were studied for their cracking susceptibility and fracture resistance as a function of irradiation dose up to 47 displacement per atom (dpa). The material is a Type 304 stainless steel sectioned from the baffle plates of this pressurized water reactor with 38 years of service. Crack growth rate and fracture toughness J-resistance (J-R) curve tests were performed in low-corrosion-potential environments at ~315°C. All samples behaved similarly under cyclic loading, and no deteriorated corrosion-fatigue behavior was observed in the test environments. Under constant stress intensity factors, most samples did not show elevated crack growth rates, suggesting an adequate stress corrosion cracking resistance in the test environments. However, an unstable cracking behavior was observed in a 47-dpa sample, resulting in significantly higher crack growth rates than expected at high stress intensity factors. Crack instability was also observed in a 0.06-dpa sample but did not lead to a sustained high crack growth rate. The impact of neutron irradiation was more evident in the fracture toughness J-R curve tests. As the dose increased, the J-R curve declined considerably and became very shallow at high doses. A fully intergranular fracture morphology was also observed among the high-dose samples ruptured in an air atmosphere at room temperature. This brittle fracture mode in the absence of high temperature water environment confirmed a high degree of embrittlement of this material resulting from its service exposure to neutron irradiation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Dynamic compression of Ce and Pr with millisecond time-resolved X-ray diffraction

Abstract Both cerium (Ce) and praseodymium (Pr) undergo a volume collapse transition under compression that originate from similar electronic mechanisms. Yet the outcome could not be more different. In the case of Ce with one affected 4f electron the volume collapse leaves the crystal symmetry intact, whereas for Pr with two 4f electrons the crystal symmetry changes from a distorted face centered cubic structure to a lower symmetry orthorhombic structure. In this paper, we present a study of the effect of strain/compression rate spanning nearly 4 orders of magnitude on the volume collapse phase transitions in Ce and Pr. These dynamic compression experiments in a diamond anvil cell also reveal kinetic differences between the phase transformations observed in these two materials. The transition cannot be overdriven in pressure in Ce, which indicates a fast kinetic process, whereas fast compression rates in Pr lead to a shift of the phase boundary to higher pressures, pointing to slower kinetics possibly due to the realization of a new crystal structure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Revealing the Galaxy–Halo Connection through Machine Learning

Abstract Understanding the connections between galaxy stellar mass, star formation rate, and dark matter halo mass represents a key goal of the theory of galaxy formation. Cosmological simulations that include hydrodynamics, physical treatments of star formation, feedback from supernovae, and the radiative transfer of ionizing photons can capture the processes relevant for establishing these connections. The complexity of these physics can prove difficult to disentangle and obfuscate how mass-dependent trends in the galaxy population originate. Here, we train a machine-learning method called Explainable Boosting Machines (EBMs) to infer how the stellar mass and star formation rate of nearly 6 million galaxies simulated by the Cosmic Reionization on Computers project depend on the physical properties of halo mass, the peak circular velocity of the galaxy during its formation history v peak , cosmic environment, and redshift. The resulting EBM models reveal the relative importance of these properties in setting galaxy stellar mass and star formation rate, with v peak providing the most dominant contribution. Environmental properties provide substantial improvements for modeling the stellar mass and star formation rate in only ≲10% of the simulated galaxies. We also provide alternative formulations of EBM models that enable low-resolution simulations, which cannot track the interior structure of dark matter halos, to predict the stellar mass and star formation rate of galaxies computed by high-resolution simulations with detailed baryonic physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

SILCC – VII. Gas kinematics and multiphase outflows of the simulated ISM at high gas surface densities

ABSTRACT We present magnetohydrodynamic (MHD) simulations of the star-forming multiphase interstellar medium (ISM) in stratified galactic patches with gas surface densities Σgas = 10, 30, 50, and 100 $\mathrm{M_\odot \, pc^{-2}}$. The silcc project simulation framework accounts for non-equilibrium thermal and chemical processes in the warm and cold ISM. The sink-based star formation and feedback model includes stellar winds, hydrogen-ionizing UV radiation, core-collapse supernovae, and cosmic ray (CR) injection and diffusion. The simulations follow the observed relation between Σgas and the star formation rate surface density ΣSFR. CRs qualitatively change the outflow phase structure. Without CRs, the outflows transition from a two-phase (warm and hot at 1 kpc) to a single-phase (hot at 2 kpc) structure. With CRs, the outflow always has three phases (cold, warm, and hot), dominated in mass by the warm phase. The impact of CRs on mass loading decreases for higher Σgas and the mass loading factors of the CR-supported outflows are of order unity independent of ΣSFR. Similar to observations, vertical velocity dispersions of the warm ionized medium (WIM) and the cold neutral medium (CNM) correlate with the star formation rate as $\sigma _\mathrm{z} \propto \Sigma _\mathrm{SFR}^a$, with a ∼ 0.20. In the absence of stellar feedback, we find no correlation. The velocity dispersion of the WIM is a factor ∼2.2 higher than that of the CNM, in agreement with local observations. For $\Sigma _\mathrm{SFR} \gtrsim 1.5 \times 10^{-2}\, \mathrm{M}_\odot \, \mathrm{yr}^{-1}\, \mathrm{kpc}^{-2}$ the WIM motions become supersonic.

Astronomy & Astrophysics↗
DOE OSTI2024

A universal and constant rate of gene content change traces pangenome flux to LUCA

Abstract Prokaryotic genomes constantly undergo gene flux via lateral gene transfer, generating a pangenome structure consisting of a conserved core genome surrounded by a more variable accessory genome shell. Over time, flux generates change in genome content. Here, we measure and compare the rate of genome flux for 5655 prokaryotic genomes as a function of amino acid sequence divergence in 36 universally distributed proteins of the informational core (IC). We find a clock of gene content change. The long-term average rate of gene content flux is remarkably constant across all higher prokaryotic taxa sampled, whereby the size of the accessory genome—the proportion of the genome harboring gene content difference for genome pairs—varies across taxa. The proportion of species-level accessory genes per genome, varies from 0% (Chlamydia) to 30%–33% (Alphaproteobacteria, Gammaproteobacteria, and Clostridia). A clock-like rate of gene content change across all prokaryotic taxa sampled suggest that pangenome structure is a general feature of prokaryotic genomes and that it has been in existence since the divergence of bacteria and archaea.

Microbiology↗
DOE OSTI2021

Effect of local structure and stoichiometry on the dynamic behavior of bi-metal interfaces

Molecular dynamics (MD) simulations are performed to investigate the failure behavior of Al/Al, Al/Fe, and Al/AlFe bi-layers under high strain-rate shock loading. Additional simulations are performed to invesigate solely the tensile response of these systems and to isolate the effects of loading history on damage and failure. Specifically, the compression stage of the shock is excluded from the tensile simulations. This study shows that local structure variation, including the introduction of serrations, plays different roles in controlling damage nucleation depending on the specific loading condition. Under shock loading, the stress for void nucleation and the resulting void distribution is insensitive to an interface structure, whereas under pure tensile loading, the opposite is true, even though the strain rate is comparable. The above difference can be explained based on the corresponding change in the total deformation prior to damage nucleation under shock loading, which is missing from the pure tensile loading. Therefore, it is concluded that whether local interface structure matters under high strain-rate loading depends on the specific loading history and the stress state: the local structure variation matters only when it alters the deformation behavior, and subsequently, damage nucleation and evolution.

36 MATERIALS SCIENCE↗