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DOE OSTI2023

Crystal plasticity model of BCC metals from large-scale MD simulations

Accurate crystal plasticity models that faithfully capture the behavior of single crystals under a wide range of loading conditions, such as loading direction, strain rate, and temperature, are still lacking. Here we introduce a novel approach in which a crystal plasticity (CP) model is informed directly from and calibrated to large-scale quantum-accurate MD simulations in which single crystal BCC Ta serves as a testbed material. By analyzing our large set of MD simulations several key insights are obtained leading us to modify constitutive assumptions in order to address deficiencies of existing CP models. Importantly, we observe that the standard notion of fixed slip systems – pairs of slip directions and slip planes – is inadequate for describing high-rate plasticity in BCC tantalum at room temperature. Instead, pencil glide defined as dislocation motion in the maximum resolved shear stress planes (MRSSP) of each Burgers vector is fully consistent with our MD simulation data while providing significant simplifications of the constitutive relations. Herein, our resulting new CP model closely matches the behavior of single crystals observed in high-rate MD simulations while being fully consistent with lower rate experimental results.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Tensile Fracture of Ductile Materials

For brittle materials, circular voids play an important role relative to fracture, intensifing both tensile and compressive stresses. A maximum intensified tensile stress failure criterion applies quite well to brittle materials. An attempt was made to explore the possibility of extending the approach to the tensile fracture of ductile materials. The three dimensional voids that exist in reality are modelled by circular holes in sheet metal. Mathematical relationships are sought between the shape and size of the hole, after the material is plastically deformed, and the amount of deformation induced. Then, the effect of hole shape, size and orientation on the mechanical properties is considered experimentally. The presence of the voids does not affect the ultimate tensile strength of the ductile materials because plastic flow wipes out the stress intensification caused by them. However, the shape and orientation of the defect is found to play an important role in affecting the strain at fracture.

Pai, D. M.↗

NASA NTRS2013

Low Temperature Creep of Hot-Extruded Near-Stoichiometric NiTi Shape Memory Alloy: Isothermal Creep - Part I

This two-part paper is the first published report on the long term, low temperature creep of hot-extruded near-stoichiometric NiTi. Constant load tensile creep tests were conducted on hot-extruded near-stoichiometric NiTi at 300, 373 and 473 K under initial applied stresses varying between 200 and 350 MPa as long as 15 months. These temperatures corresponded to the martensitic, two-phase and austenitic phase regions, respectively. Normal primary creep lasting several months was observed under all conditions indicating dislocation activity. Although steady-state creep was not observed under these conditions, the estimated creep rates varied between 10(exp -10) and 10(exp -9)/s. The creep behavior of the two phases showed significant differences. The martensitic phase exhibited a large strain on loading followed by a primary creep region accumulating a small amount of strain over a period of several months. The loading strain was attributed to the detwinning of the martensitic phase whereas the subsequent strain accumulation was attributed to dislocation glide-controlled creep. An "incubation period" was observed before the occurrence of detwinning. In contrast, the austenitic phase exhibited a relatively smaller loading strain followed by a primary creep region, where the creep strain continued to increase over several months. It is concluded that the creep of the austenitic phase occurs by a dislocation glide-controlled creep mechanism as well as by the nucleation and growth of deformation twins.

Raj, S. V.↗

DOE OSTI2023

Probabilistic Failure Criterion of SiC/SiC Composites Under Multiaxial Loading

Owing to its excellent mechanical properties and stability under high temperature and neutron irradiation conditions, SiC/SiC composites have emerged as a promising material for light water reactors (LWRs) in the development of accident-tolerant fuel (ATF) systems. Structural integrity and retention of hermeticity are two crucial requirements for SiC/SiC claddings during normal operations, and both of them are closely related to the proportional limit stress (PLS) of the material. Understanding the behavior of SiC/SiC composites under multiaxial stress states and developing a probabilistic approach for evaluating the structural vulnerability are of paramount importance for reliability-based analysis and design of SiC/SiC composite claddings. So far, there has been very limited effort towards experimental and analytical investigations of probabilistic failure of SiC/SiC claddings. This critical knowledge gap motivates this research. A probabilistic failure criterion for SiC/SiC composites under multi-axial loading is developed, and this criterion is incorporated into reliability analysis of the structural integrity of SiC/SiC fuel cladding. The research consists of two parts: 1) experimental investigation of multiaxial failure behavior of SiC/SiC composites, and 2) theoretical modeling of time-dependent probabilistic failure of SiC/SiC cladding. In the experimental investigation, the PLS is determined through the examination of stress-strain response, the acoustic emission measurement, as well as the X-ray computed tomography. The theoretical framework is derived by combin- ing the finite weakest-link statistical model and the subcritical damage growth model. This theoretical model captures the time-dependent failure mechanism of the material, which has a major consequence for predicting the lifetime distribution of the cladding. Meanwhile, the model also predicts that the failure statistics of the cladding depends strongly on the cladding length. The results of the multiaxial experiments reveal the level of statistical variation of the PLS of SiC/SiC materials under different stress states. The theoretical model provides a robust analytical tool for extrapolation of small-scale laboratory test results to the behavior of full-scale claddings. These findings establish a scientific foundation for the development of reliability-based design of SiC/SiC fuel claddings, which will play an essential role in improving the structural safety and integrity of LWRs.

42 ENGINEERING↗

NASA NTRS2009

"Zero-Mass" Noninvasive Pressure Transducers

Extremely lightweight, compact, noninvasive, rugged, relatively inexpensive strain-gauge transducers have been developed for use in measuring pressures of fluids in tubes. These gauges were originally intended for measuring pressures of spacecraft-propulsion fluids, but they are also attractive for use in numerous terrestrial applications especially those involving fluids that are extremely chemically reactive, fluids that must be isolated for hygienic purposes, fluids that must be allowed to flow without obstruction, and fluid-containing tubes exposed to severe environments. A basic pressure transducer of this type comprises one or more pair(s) of thin-film strain gauges integral with a tube that contains the fluid of interest. Following established strain-gauge practice, the gauges in each pair are connected into opposite arms of a Wheatstone bridge (see figure). Typically, each pressure transducer includes one pair (the active pair) of strain gauges for measuring the hoop stress proportional to the pressure of the fluid in the tube and another pair (the dummy pair) of strain gauges that are nominally unstrained: The dummy gauges are mounted on a substrate that is made of the same material as that of the tube. The substrate is welded to the tube at only one spot so that stresses and strains are not coupled from the tube into the substrate. The dummy strain gauges measure neutral strains (basically, strains associated with thermal expansion), so that the neutral-strain contribution can be subtracted out of the final gauge reading.

Hartley, Frank T.↗

DOE OSTI2026

How earthquakes organize stress

Stress is not uniform in the Earth. Therefore, we must use natural experiments to measure the distribution of stresses and related quantities, rather than single values. For instance, dynamic triggering shows that faults are uniformly distributed over their loading cycles in Southern California. The probability that a fault ruptures across a barrier measures the in situ energy distribution. Fault roughness reflects the distribution of strength. These natural experiments produce observable distributions that are surprisingly consistent and suggest some degree of self-organization in the Earth’s crust. Once established, the functional form of the distributions can be used to track changes in response to earthquakes as well as to distinguish fundamentally different fault systems. Transient fault locking before stress release in laboratory experiments can be interpreted as a consequence of self-organization of fault stress. The robust self-organization of multiple variables in earthquake systems suggests that the most consequential mechanical outcome of earthquakes may be the redistribution of stress and the strain energy associated with it. The low friction on a fault during seismic slip as inferred by temperature measurements of the Tohoku earthquake is consistent with dissipation playing a secondary role to this redistribution process. Through stress redistribution and interaction, subduction zone faults tend to synchronize, perhaps due to their geometric simplicity, while the continental system of Southern California cannot synchronize, perhaps due to the complexity of the fault network. Earthquakes organize stress in the crust and produce a suite of well-defined, consistent distributions.

earthquakes↗

NASA NTRS1976

On the thermoelastic analysis of solar cell arrays and related material properties

Accurate prediction of failure of solar cell arrays requires accuracy in the computation of thermally induced stresses. This was accomplished by using the finite element technique. Improved procedures for stress calculation were introduced together with failure criteria capable of describing a wide range of ductile and brittle material behavior. The stress distribution and associated failure mechanisms in the N-interconnect junction of two solar cell designs were then studied. In such stress and failure analysis, it is essential to know the thermomechanical properties of the materials involved. Measurements were made of properties of materials suitable for the design of lightweight arrays: microsheet-0211 glass material for the solar cell filter, and Kapton-H, Kapton F, Teflon, Tedlar, and Mica Ply PG-402 for lightweight substrates. The temperature-dependence of the thermal coefficient of expansion for these materials was determined together with other properties such as the elastic moduli, Poisson's ratio, and the stress-strain behavior up to failure.

Salama, M. A.↗

DOE OSTI2025

Structure and mechanical properties of grain boundaries in molybdenum disulfide (MoS 2 )

Molybdenum disulfide (MoS 2 ) is a two-dimensional material widely used as a lubricant in many applications involving mechanical loading under a wide range of operating temperatures. Since many synthesis and processing techniques yield MoS 2 in its polycrystalline form, establishing grain boundary (GB) structure–property relations is key to designing MoS 2 microstructures with tailored properties. Here, we employ classical, reactive atomistic simulations to investigate the structure and mechanical behavior of a wide range of GBs in MoS 2 as a function of temperature. Using a bicrystal MoS 2 geometry, we characterize the atomic structure and calculate the energy of several low-angle GBs. Then, we simulate the tensile deformation behavior of MoS 2 bicrystals at several temperatures. Our results reveal that at temperatures above 100 K, the deformation of MoS 2 bicrystals is characterized by the nucleation of shear bands from GBs that grow, with subsequent loading, into the MoS 2 crystals. At low temperatures, the tensile deformation is characterized by the nucleation and propagation of deformation fronts, resulting in altered bond angles and bond lengths. Quantitative analysis reveals a decrease in the ultimate tensile stress and ultimate failure strain of MoS 2 bicrystals with the increase in temperature. Furthermore, our simulations of the mechanical behavior of metastable GBs reveal that the strength and ductility decrease with the increase in energy of these boundary structures. In broad terms, our work provides future avenues to employ GB engineering as a strategy to tailor the properties of MoS 2 microstructures.

Moore, Robert D. [Lehigh Univ., Bethlehem, PA (Uni↗

NASA NTRS1993

Wrinkle ridges, reverse faulting, and the depth penetration of lithospheric stress in lunae planum, Mars

Tectonic features on a planetary surface are commonly used as constraints on models to determine the state of stress at the time the features formed. Quantitative global stress models applied to understand the formation of the Tharsis province on Mars constrained by observed tectonics have calculated stresses at the surface of a thin elastic shell and have neglected the role of vertical structure in influencing the predicted pattern of surface deformation. Wrinkle ridges in the Lunae Planum region of Mars form a conentric pattern of regularly spaced features in the eastern and southeastern part of Tharsis; they are formed due to compressional stresses related to the response of the Martian lithosphere to the Tharsis bulge. As observed in the exposures of valley walls in areas such as the Kasei Valles, the surface plains unit is underlain by an unconsolidated impact-generated megaregolith that grades with depth into structurally competent lithospheric basement. The ridges have alternatively been hypothesized to reflect deformation restricted to the surface plains unit ('thin skinned deformation') and deformation that includes the surface unit, megaregolith and basement lithosphere ('thick skinned deformation'). We have adopted a finite element approach to quantify the nature of deformation associated with the development of wrinkle ridges in a vertically stratified elastic lithosphere. We used the program TECTON, which contains a slippery node capability that allowed us to explicitly take into account the presence of reverse faults believed to be associated with the ridges. In this study we focused on the strain field in the vicinity of a single ridge when slip occurs along the fault. We considered two initial model geometries. In the first, the reverse fault was assumed to be in the surface plains unit, and in the second the initial fault was located in lithospheric basement, immediately beneath the weak megaregolith. We are interested in the conditions underwhich strain in the surface layer and basement either penetrates or fails to penetrate through the megaregolith. We thus address the conditions required for an initial basement fault to propagate through the megaregolith to the surface, as well as the effect of the megareolith on the strain tensor in the vicinity of a fault that nucleates in the surface plains unit.

Zuber, M. T.↗

DOE OSTI2022

Fabric-enriched continuum breakage mechanics (F-CBM )

A fabric-enriched continuum breakage mechanics (F-CBM) framework is developed to examine the relation between elastic and inelastic anisotropy in granular materials subjected to high pressure. For this purpose, emphasis is given to the influence of the anisotropic fabric on the plastic cap regime – that is, a macroscopic signature of the inelasticity of granular materials widely dependent on the particle crushability. Anisotropic behaviour prior to yielding is introduced through a symmetric second-order fabric tensor embedded in the expression of the elastic energy potential. It is shown that, thanks to its energy-based formulation, the F-CBM framework provides a platform to predict the rotation and distortion of the yield cap of granular materials as an outcome of anisotropic strain energy storage prior to grain crushing. Parametric analyses indicate that both the degree of anisotropy and the orientation of the fabric have an impact on the energy release resulting from grain crushing and contribute to the resulting stress–strain behaviour. It is shown that, despite the use of very few parameters, the proposed framework can accurately predict the anisotropic yielding and inelastic stress–strain response solely on the basis of the directional properties inferred from measurements of elastic anisotropy.

Engineering↗

DOE OSTI2025

Direct observation of strain-enhanced hydrogen segregation and failure at high-angle grain boundaries in nickel

Understanding the mechanisms underlying hydrogen embrittlement remains difficult, even in single-element metals. Both microstructure and stress state influence hydrogen distribution in metals and alloys, which impacts deformation and failure. Here, in this work, we use in-situ Kelvin probe force microscopy (KPFM) to monitor the hydrogen distribution in pure nickel over time at 1.1 % and 3.5 % strain. The sample strained to 3.5 % results in preferential hydrogen segregation to high-angle grain boundaries whereas the sample strained to 1.1 % does not exhibit preferential hydrogen segregation. Optical digital image correlation (DIC) shows that hydrogen charging results in both localized and reduced strains during tensile testing of a notched sample. Later stages of deformation and failure (e.g. microcracking) are studied by using in-situ transmission X-ray microscopy (TXM). TXM reveals nanoscale structural changes to a propagating crack in a hydrogen environment. Localized void growth and secondary cracking occur at grain boundaries near the primary crack front. Correlative electron backscattering diffraction (EBSD) is used to relate the cracking at grain boundaries to the hydrogen segregation observed in KPFM. These findings are unified in a proposed hydrogen embrittlement mechanism that describes the interaction of hydrogen with grain boundaries, and the role of grain boundaries in hydrogen embrittlement.

Grain boundary fracture↗

DOE OSTI2023

Desiccation induces varied responses within a soil bacterial genus

Abstract Desiccation impacts a suite of physiological processes in microbes by elevating levels of damaging reactive oxygen species and inducing DNA strand breaks. In response to desiccation‐induced stress, microbes have evolved specialized mechanisms to help them survive. Here, we performed a 128‐day lab desiccation experiment on nine strains from three clades of an abundant soil bacterium, Curtobacterium . We sequenced RNA from each strain at three time points to investigate their response. Curtobacterium was highly resistant to desiccation, outlasting both Escherichia coli and a famously DNA damage‐resistant bacterium, Deinococcus radiodurans . However, within the genus, there were also 10‐fold differences in survival rates among strains. Transcriptomic profiling revealed responses shared within the genus including up‐regulation of genes involved in DNA damage repair, osmolyte production, and efflux pumps, but also up‐regulation of pathways and genes unique to the three clades. For example, trehalose synthesis gene otsB , the chaperone groEL , and the oxygen scavenger katA were all found in either one or two clades but not the third. Here, we provide evidence of considerable variation in closely related strains, and further elucidation of the phylogenetic conservation of desiccation tolerance remains an important goal for microbial ecologists.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Unraveling the ecological success of Iodidimonas in a bioreactor treating oil and gas produced water

Iodidimonas sp., a bacterium found in bioreactors treating oil and gas produced water as well as iodide-rich brines, has garnered attention for its unique ability to oxidize iodine. However, little is known about the metabolic capabilities that enable Iodidimonas sp. to thrive in certain unique ecological niches. In this study, we isolated, characterized, and sequenced three strains belonging to the Iodidimonas genus from the sludge of a membrane bioreactor used for produced water treatment. We investigated the genomic features of these isolates and compared them with the four publicly available isolate genomes from this genus, as well as a metagenome-assembled genome from the source bioreactor. Our Iodidimonas isolates had several genes associated with mitigating salinity, heavy metal, and organic compound stress, which likely help these bacteria to survive in produced water. Phenotyping tests revealed that while the isolates could utilize a wide variety of simple carbon substrates, they failed to degrade aliphatic or aromatic hydrocarbons, consistent with the lack of genes associated with common hydrocarbon degradation pathways in their genomes. We hypothesize that these microbes may lead a scavenging lifestyle in the bioreactor and similar iodide-rich brines. IMPORTANCE: Occupying a niche habitat and having few representative isolates, the genus Iodidimonas is a relatively understudied alphaproteobacterial group. Its ability to corrode pipes in iodine production facilities has economic implications, and its ability to generate potentially carcinogenic iodinated organic compounds during treatment of oil and gas produced water may cause environmental and health concerns with the recycling of treated water. Therefore, detailed characterization of the metabolic potential of the Iodidimonas isolates in this study both sheds light on their adaptation to the environmental conditions they inhabit and has environmental and economic significance.

Acharya, Shwetha M↗

NASA NTRS2002

Torque Limits for Fasteners in Composites

The two major classes of laminate joints are bonded and bolted. Often the two classes are combined as bonded-bolted joints. Several characteristics of fiber reinforced composite materials render them more susceptible to joint problems than conventional metals. These characteristics include weakness in in-plane shear, transverse tension/compression, interlaminar shear, and bearing strength relative to the strength and stiffness in the fiber direction. Studies on bolted joints of composite materials have been focused on joining assembly subject to in-plane loads. Modes of failure under these loading conditions are net-tension failure, cleavage tension failure, shear-out failure, bearing failure, etc. Although the studies of torque load can be found in literature, they mainly discussed the effect of the torque load on in-plane strength. Existing methods for calculating torque limit for a mechanical fastener do not consider connecting members. The concern that a composite member could be crushed by a preload inspired the initiation of this study. The purpose is to develop a fundamental knowledge base on how to determine a torque limit when a composite member is taken into account. Two simplified analytical models were used: a stress failure analysis model based on maximum stress criterion, and a strain failure analysis model based on maximum strain criterion.

Yi Zhao↗

NASA NTRS1993

Tension fracture of laminates for transport fuselage. Part 2: Large notches

Tests were conducted on over 200 center-crack specimens to evaluate: (a) the tension-fracture performance of candidate materials and laminates for commercial fuselage applications; and (b) the accuracy of several failure criteria in predicting response. Crack lengths of up to 12 inches were considered. Other variables included fiber/matrix combination, layup, lamination manufacturing process, and intraply hybridization. Laminates fabricated using the automated tow-placement process provided significantly higher tension-fracture strengths than nominally identical tape laminates. This confirmed earlier findings for other layups, and possibly relates to a reduced stress concentration resulting from a larger scale of repeatable material inhomogeneity in the tow-placed laminates. Changes in material and layup result in a trade-off between small-notch and large-notch strengths. Toughened resins and 0 deg-dominate layups result in higher small-notch strengths but lower large-notch strengths than brittle resins, 90 deg and 45 deg dominated layups, and intraply S2-glass hybrid material forms. Test results indicate that strength-prediction methods that allow for a reduced order singularity of the crack-tip stress field are more successful at predicting failure over a range of notch sizes than those relying on the classical square-root singularity. The order of singularity required to accurately predict large-notch strength from small-notch data was affected by both material and layup. Measured crack-tip strain distributions were generally higher than those predicted using classical methods. Traditional methods of correcting for finite specimen width were found to be lacking, confirming earlier findings with other specimen geometries. Fracture tests of two stiffened panels, identical except for differing materials, with severed central stiffeners resulted in nearly identical damage progression and failure sequences. Strain-softening laws implemented within finite element models appear attractive to account for load redistribution in configured structure due to damage-induced crack tip softening

Walker, Tom H.↗

DOE OSTI2020

Influence of Silane Coupling Agents on Filler Network Structure and Stress-Induced Particle Rearrangement in Elastomer Nanocomposites

Filled rubber materials are key in many technologies having broad impact on the economy and sustainability, the most obvious being tire technology. Adding filler dramatically improves the strength of rubber by reinforcement and tailoring the type of filler and the chemistry of the interface between filler and rubber matrix is important for optimizing performance metrics such as fuel efficiency. In a highly loaded, silica-filled, crosslinked model rubber closely mimicking commercial materials, both the filler network structure and the dynamics of the silica filler particles change when the silica surface is modified with silane coupling agents. Reduction in size scales characteristic of the structure are quantified using ultra-small-angle X-ray scattering (USAXS) measurements and the particle dynamics probed with X-ray photon correlation spectroscopy (XPCS). While the structure averaged over the scattering volume changes little with aging after step strain, the dynamics slow appreciably in a manner that varies with the treatment of the silica filler. The evolution of filler particle dynamics depends on the chemical functionality at the silica surface and observing these differences suggests a way of thinking about the origins of hysteresis in nanoparticle-reinforced rubbers. These microscopic filler dynamics are correlated with the macroscopic stress relaxation of the filled materials. The combination of static and dynamic X-ray scattering techniques with rheological measurements is a powerful approach for elucidating the microscopic mechanisms of rubber reinforcement.

36 MATERIALS SCIENCE↗

NASA NTRS1999

An Ultrasonic Technique to Determine the Residual Strength of Adhesive Bonds

In this work, ultrasonic techniques to nondestructively evaluate adhesive bond degradation have been studied. The key to the present approach is the introduction of an external factor which pulls the adhesive bond in the nonlinear range, simultaneously with the application of an ultrasonic technique. With the aid of an external static tensile loading, a superimposed longitudinal wave has.been used to obtain the slopes of the stress-strain curve of an adhesive bond at a series of load levels. The critical load, at which a reduction of the slope is detected by the superimposed longitudinal wave, is an indication of the onset of nonlinear behavior of the adhesive bond, and therefore of bond degradation. This approach has been applied to the detection of adhesive bond degradation induced by cyclic fatigue loading. Analogously to the longitudinal wave case, a superimposed shear wave has been used to obtain the effective shear modulus of adhesive layers at different shear load levels. The onset of the nonlinear behavior of an adhesive bond under shear loading has been detected by the use of a superimposed shear wave. Experiments show that a longitudinal wave can also detect the nonlinear behavior when an adhesive bond is subjected to shear loading. An optimal combination of ultrasonic testing and mechanical loading methods for the detection of degradation related nonlinear behavior of adhesive bonds has been discussed. For the purpose of a practical application, an ultrasonic technique that uses a temperature increase as an alternative to static loading has also been investigated. A general strain-temperature correspondence principle that relates a mechanical strain to a temperature has been presented. Explicit strain-temperature correspondence relations for both the tension and shear cases have been derived. An important parameter which quantifies the relation between the wave velocity and temperature has been defined. This parameter, which is indicative of adhesive bond nonlinearity and which can be conveniently obtained by an ultrasonic measurement, has been used as an indication of adhesive bond degradation. Experimental results have shown that the temperature increase method is a convenient and productive alternative to static loading. A technique which uses the reflected waveform data to obtain the fundamental ultrasonic parameters (transit time, reflection coefficient and attenuation coefficient) of an adhesive bond has also been presented.

Achenbach, J. D.↗

NASA NTRS1989

Toughness distribution considerations in a thin film system

The spontaneous mechanical failure of thin films and occasionally substrates, due to the thin film deposition, are relatively common occurrences. Large internal stresses (e.g. 10 MPa to 100 MPa) are an inherent part of the thin film deposition process. In most cases where fracture mechanics has been applied to thin film systems, the failure path is confined a priori to the substrate-thin film interface or in the thin film perpendicular to that interface. This paper considers the contributions which determine the failure path and presents a qualitative model for identifying the failure path in a thin film system taking into account the presence of residual stresses. The most important aspect of this model is that it offers an explanation of the variation in the locus of failure that does not strictly depend on the weakest point of the material (i.e. the least work of fracture) being the first to fail. It does not, inherent to its construction, restrict failure to the interface a priori. The fracture mechanics criterion of the strain energy release rate equaling the material's resistance to crack growth leads to crack propagation at a specific location and defines the selection of the fracture path.

Brown, L. D.↗