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At least 307 records · Page 17

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DOE OSTI2025

Thermal Conductivity of Graphene Coated Copper Under Uniaxial Tensile Mechanical Strain

Graphene continues to demonstrate promise as a highly effective barrier coating, even at only one atom thick. The thermal properties of this coating are also promising to allow diffusion of heat across the surface, as the isolated graphene is an intrinsically good thermal conductor, yet this and its behavior under mechanical deformation has been less extensively studied. This report demonstrates that the in-plane thermal conductivity and interfacial thermal conductance of graphene coatings on copper are affected by mechanical strain. By inducing a strain in the copper substrate, the Raman-active 2D peak exhibits a change in position as well as a change in laser power dependence as the copper substrate is uniaxially elongated to a maximum of 0.5%. Non-linear trends in thermal conductivity are observed with tensile strain in samples with differing strain transfer rates from the substrate, indicating the close correlation between intrinsic thermal conduction and interfacial properties in atomically thin coatings transferred onto metals.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Calibration of CDM-Based Creep Constitutive Model Using Accelerated Creep Test (ACT) Data

In conventional creep testing (CCT) a specimen is subject to constant load and temperature for a long-duration until creep rupture occurs. Conventional testing can be costly when considering the number of experiments needed to characterize the creep response of a material over a range of stress and temperature. To predict long-term creep-rupture properties, the time-temperature-stress superposition principle (TTSSP) approach has been employed where stress and/or temperature is applied at an elevated level; the result of which are extrapolated down to low stress and/or temperature conditions. These methods have been successful in predicting minimum-creep-strain-rate (MCSR) and stress-rupture (SR) but suffer from an inability to predict the creep deformation curve or account for changes in deformation mechanisms or aging that occurs at long-duration. An accelerated technique, termed the Stepped isostress method (SSM) allows the accelerated testing of materials to determine their creep deformation response. Unlike TTSSP tests, the SSM test employs a single specimen where the stress is periodically step increased until rupture. The SSM creep deformation curve is processed (time and strain shifted) to produce an accelerated creep deformation curve that represent the creep deformation curve at the initial stress level in SSM. A processing procedure for metals has yet to be developed. The research objective of this study is to develop a processing procedure for SSM test data using a creep-damage constitutive model. Triplicate SSM tests were conducted on Ni-based superalloy Inconel 718 at 650°C with stress being periodically increased until rupture. Triplicate CCT tests were conducted at the initial stress level of the SSM tests. The Sine-hyperbolic (Sinh) creep-damage model was employed in this study. The Sinh creep-damage constitutive model is based on coupled creep strain rate and damage evolution equations; where both rates are dependent on the current state of damage. Calibration is two-step: analytical and numerical optimization. Each stepped creep deformation curve is tackled quasi-analytically to determine MCSR and SR related material constants and accumulated damage. The damage accumulated at the end of each step was then passed onto subsequent steps to calibrate the MCSR, rupture prediction, and damage evolution. Numerical optimization was applied to optimize model constants involved in the creep strain constitutive equations in order to generate best-fitted Sinh creep deformation curves. The Sinh model predictions were compared to the SSM and CCT data. The Sinh model satisfactorily predicts the SSM data and thus the calibrated material constants provides a good estimate of rupture found in the CCT data. Calibration using SSM data reduces the number of tests needed to calibrate a model; significantly reducing costs. A single SSM test replaces numerous creep tests at different stresses.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Revealing nanomechanical deformation at the interface and degradation in all-thin-film inorganic electrochromic devices

Recently, progress in electrochromic (EC) devices has been made in optimizing electrode and device configurations and performance. However, the ion insertion/de-insertion induced charge transfer (CT) nanomechanical effect has remained unexplored, i.e., repetitive electrode size changes at the nanoscale and stress/strain generated during electrochemical cycling, which is the focus of this work due to its intimate correlation with the elastic and plastic deformation at the interface. Considering the intervalence electrons, excellent electrochemical kinetics, and dramatic color changes, tungsten oxide (WO 3 ) and nickel oxide (NiO) films are configured as the EC cathode and anode materials, respectively, within a full device. Upon extended cycles (>10 000), the void generation and delamination that occurred at the interface account for performance decay. Encouraged by the findings, nanoindentation mechanical tests and electrical kelvin probe force microscopy were employed to investigate the CT induced effects at the interface. There is a dramatic increase of up to 45% in the elastic Young's modulus in colored/charged WO 3 at ~40 mC cm -2 . Here, the correlation between CT and synergistic mechanical effect is interpreted by the Lippman equation. Interestingly, despite the charged state (colored; lithiated) with a relatively flat morphology bringing an ~3.4 times higher electrostatic surface potential, the electrical work function unexpectedly decreases, arising from the dominant effect of the dipole layer potential over the chemical potential. The interatomic cohesive energy and equilibrium distance increase bury the seeds for mechanical deformation in the long run. This work provides fundamental insights into electro-chemo mechanics and interdisciplinary concerted interfacial effects at the nano/atomic level. The dependence of surface potential, stress, work function, and cohesive energy on electrochemical kinetics has been interpreted.

36 MATERIALS SCIENCE↗

DOE OSTI2023

The complexity of { 11 2 ¯ 1 } twin interface structure and energetics in HCP materials

Here, the quest for a deeper understanding of the mechanical properties of HCP alloys has been an ongoing effort. Due to the lack of a sufficient number of slip systems, twin nucleation and migration originate as a substantial plastic deformation mechanism in HCP metals. The paper uncovers the energetics and atomistic mechanism of the {$11\overline{2}1$} < $11\overline{2}6$ > which is one of the most prominent twin modes in HCP materials that has not been fully understood. In view of corrugated {$11\overline{2}1$} interfaces, the positioning of lattice/motif atoms needs to be clarified. First, we establish the initial twin boundary (TB) structure unambiguously via the lattice offsets resulting in volume invariancy and correct relative positioning of the twin variants. Secondly, the TB migration mechanism is determined from a crystallographic (zero net shuffle, $Σ\vec{s}$ = 0) and energetic standpoints (minimum energy path). The Generalized Planar Fault Energy (GPFE) curves are calculated for Ti, Hf, Mg, and Zr. Such GPFE curves for this twin mode are calculated for the first time, and point to unusually high unstable energies (300-850 mJ/m 2 ), and low migration barriers (<60 mJ/m 2 ) for twinning accompanied with large shuffle magnitudes, |$\vec{s}$|, comparable to the Burger’s vector (|$\vec{s}$| ≅ $b_e$ > 0.44Å)

36 MATERIALS SCIENCE↗

NASA NTRS1990

Piezoelectric and pyroelectric effects of a crystalline polymer

Polyvinylidene flouride (PVDF) is a crystalline polymer to both piezoelectric and pyroelectric nature. Piezoelectricity produces electrical signals when mechanically deformed, and pyroelectricity is the electrical polarization induced by thermal absorption in crystals. To demonstrate the piezoelectric effect PVDF is subjected to impact loads which produce electrical charges proportional to mechanical stresses. A heat source was used to demonstrate the pyroelectric nature of PVDF. The rise in temperature due to absorbed energy by the polymer produces electrical output. The qualitative test results obtained are graphically reproduced.

Kundu, Nikhil K.↗

DOE OSTI2022

Sensitivity Study of Multiscale and Phenomenological Elasto-Viscoplastic Grade 91 Material Models for Component-Scale Response

Many advanced nuclear reactor concepts currently being developed are targeting higher operating temperatures relative to the current fleet of light water nuclear reactors, for efficiency gains and other operational considerations. The design of high temperature structural components with reliable long-term operational performance will depend on material models that accurately capture the inelastic deformation mechanisms active in these environments. In this work, we perform a detailed parameter sensitivity analysis of two unified elasto-viscoplastic Grade 91 material models capable of capturing long term high temperature creep deformation. The first model is a phenomelogical material model from the Nuclear Engineering Material Library (NEML) developed at Argonne National Lab. The NEML model parameters and their uncertainty were fit to a range of Grade 91 experimental data using Bayesian Markov Chain Monte Carlo analysis. The second model is a LAROMance data-driven surrogate material model developed at Los Alamos National Lab. The LAROMance model is fit to a large database of responses produced by a mechanistic crystal plasticity based polycrystal model. Parameters for the LAROMance surrogate material model reflect the pedigree of the Grade 91 microstructure. Both material models have been integrated into the Grizzly code, based on the open-source MOOSE multiphysics simulation framework, to simulate both the progression of aging mechanisms and the effects of that aging on nuclear power plant structures. Grizzly is used analyze a three-dimensional Grade 91 piping system to compare the long-term inelastic response predicted by these two fundamentally different models and assess the sensitivity of the material model input parameters on this quantity of interest.

42 ENGINEERING↗

NASA NTRS1992

Stability of the ordered orthorhombic phase in Ti-24Al-11Nb

The ordered orthorhombic 'O' phase in the Ti-Al-Nb ordered alloy system emerges either through slow cooling from above 1200 C or through isothermal aging after quenching from that temperature regime. An experimental investigation is presently conducted of the structural relationship between the O and alpha(2) phases, in order to clarify the mechanism of transition between the two. The transition occurs with the formation of a platelike alpha(2) phase within the O matrix, and may be characterized as due to a shape-deformation mechanism associated with diffusion of excess Nb away from the O/alpha(2) interface.

Hsiung, L. M.↗

DOE OSTI2022

Exploring the Microstructure-Property Relationship of Mg-Al-Mn alloys enhanced via Friction Stir Processing

Friction Stir Processing (FSP) is a solid-state thermomechanical processing technique that enables local grain refinement, densification, and homogenization of microstructure in metallic components. Here, FSP is applied to thin sheets of high-pressure die cast AM60 to address the porosity and heterogeneities inherent to the casting process. In this work, microstructure characterization is correlated to improvements in the static mechanical properties of the Mg-Al-Mn alloy system at various FSP processing conditions. Notably, there is a significant increase in the ductility and ultimate tensile stress of system following FSP. The dominant deformation mechanisms for the as-cast material and the FSP material are investigated. Finally, the fatigue life improvement is correlated to microstructure modifications that may lead to distinct behavior in crack initiation and crack propagation for the as-cast and FSP material.

Garcia, David↗

DOE OSTI2025

High-temperature nanoindentation creep studies on castable and sintered nanostructured low-activation ferritic-martensitic alloys

In this article, we present the creep characteristics of two reduced activation ferritic-martensitic steels of identical starting compositions formed by different fabrication routes: a nanostructured ferritic alloy commonly referred to as a castable nanostructured alloy (CNA) and a sintered nanostructured alloy (SNA) variant. Through a series of nanoindentation experiments spanning a temperature range of 25 °C to 650 °C, with a maximum load of 100 mN, we find creep behaviors in the cast and sintered materials to be remarkably similar. The creep stress exponent (n) for CNA and SNA were found to be in the range of 8–35 and the activation volume was ∼14–42b 3 , underscoring a dominance of dislocation-mediated mechanisms in both alloys. Notably, we observed a decline in the creep stress exponent with increasing temperature, attributable to the heightened influence of thermally activated dislocations. This phenomenon suggests a potential transition in the deformation mechanism towards a thermally activated dislocation climb process, significantly impacting the observed creep behavior.

36 MATERIALS SCIENCE↗

NASA NTRS1974

Interfaces in directionally solidified eutectics

Consideration of the interface between the phases in directionally solidified eutectic structures with respect to its morphology, crystallography, stability, and overall response to internal and external stress fields. Yielding behavior in such eutectic structures is shown to be controlled by several possible mechanisms. Two that can be related to the interface in directionally-solidified eutectic alloys are: (1) the interaction of slip dislocations with interface dislocations of the semicoherent boundaries, and (2) restrictions of allowable deformation mechanisms in two contiguous phases due to orientation effects. Evidence found thus far for elastic-plastic eutectic composites indicates that interfaces are capable of diverting fatigue cracks parallel to the loading axis.

Hertzberg, R. W.↗

DOE OSTI2024

Self–Healing and Stretchable Molecular Ferroelectrics with High Expandability

The interplay between crystal ordering and stretchability is frequently encountered in contemporary materials science, particularly in the case of ferroelectrics. The inherent dilemma arises when these materials need to withstand repetitive mechanical deformations or stretching without sacrificing their crystal integrity, all while retaining their remarkable ferroelectric properties and even exhibiting self-healing capabilities. This complexity further presents a significant challenge in the design and engineering of mechanically rigid molecular ferroelectric crystals, particularly for applications where both precise crystalline structure and mechanical adaptability are crucial. In this study, the humidity-controlled expansion and contraction, dissolution, and recrystallization of a self-assembled molecular ferroelectric-in-hydrogel framework are reported. Self-healing ferroelectric-in-hydrogel networks exhibit a recyclable humidity-tailored ionic conductivity from 2.86 × 10 –6 to 1.36 × 10 –5 S cm –1 , facilitating the stretchable piezoelectric sensing. Additionally, the dynamic bond reforming interactions are observed, leading to the tailoring of Young's modulus from 452 to 170 MPa, maintaining ferroelectricity under a strain of 20% with a piezoelectric coefficient of 15.7 pC N –1 . Upon lattice contraction, the molecular contacts undergo reforming, leading to the restoration of stretchable ferroelectrics/piezoelectrics and paving the way for stretchable bioelectronics for full-body motion monitoring. The capabilities highlighted here open avenues for stretchable and self-healing ferroelectric-in-hydrogel bioelectronic technologies.

36 MATERIALS SCIENCE↗

NASA NTRS2000

Plasticity and Kinky Chemistry of Carbon Nanotubes

Since their discovery in 1991, carbon nanotubes have been the subject of intense research interest based on early predictions of their unique mechanical, electronic, and chemical properties. Materials with the predicted unique properties of carbon nanotubes are of great interest for use in future generations of aerospace vehicles. For their structural properties, carbon nanotubes could be used as reinforcing fibers in ultralight multifunctional composites. For their electronic properties, carbon nanotubes offer the potential of very high-speed, low-power computing elements, high-density data storage, and unique sensors. In a continuing effort to model and predict the properties of carbon nanotubes, Ames accomplished three significant results during FY99. First, accurate values of the nanomechanics and plasticity of carbon nanotubes based on quantum molecular dynamics simulations were computed. Second, the concept of mechanical deformation catalyzed-kinky-chemistry as a means to control local chemistry of nanotubes was discovered. Third, the ease of nano-indentation of silicon surfaces with carbon nanotubes was established. The elastic response and plastic failure mechanisms of single-wall nanotubes were investigated by means of quantum molecular dynamics simulations.

Srivastava, Deepak↗

DOE OSTI2020

Method for conducting in situ high-temperature digital image correlation with simultaneous synchrotron measurements under thermomechanical conditions

This work presents a novel method of obtaining in situ strain measurements at high temperature by simultaneous digital image correlation (DIC), which provides the total strain on the specimen surface, and synchrotron x-ray diffraction (XRD), which provides lattice strains of crystalline materials. DIC at high temperature requires specialized techniques to overcome the effects of increased blackbody radiation that would otherwise overexpose the images. The technique presented herein is unique in that it can be used with a sample enclosed in an infrared heater, remotely and simultaneously with synchrotron XRD measurements. The heater included a window for camera access, and the light of the heater lamps is used as illumination. High-temperature paint is used to apply a random speckle pattern to the sample to allow the tracking of displacements and the calculation of the DIC strains. An inexpensive blue theatrical gel filter is used to block interfering visible and infrared light at high temperatures. This technique successfully produces properly exposed images at 870 °C and is expected to perform similarly at higher temperatures. The average strains measured by DIC were validated by an analytical calculation of the theoretical strain. Simultaneous DIC and XRD strain measurements of Inconel 718 (IN718) tensile test specimens were performed under thermal and mechanical loads and evaluated. Finally, this approach uses the fact that with DIC, the total strain is measured, including plastic strain, while with XRD, only elastic strain is captured. The observed differences were discussed with respect to the effective deformation mechanisms.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Optimizing thermal stability and mechanical behavior in segregation-engineered nanocrystalline Al–Ni–Ce alloys: A combinatorial study

The deliberate use of solute enrichment at grain boundaries, otherwise known as segregation engineering, is a promising approach to tailor the properties of interface-dominated materials such as nanocrystalline alloys. Here, the ensuing chemical and structural evolution at grain boundaries can give rise to thermal stability and excellent mechanical properties, but the interplay between enrichment, phase decomposition, grain growth, and mechanical behavior exists in a vast composition and processing space. In this study, a combinatorial synthesis and rapid characterization approach was applied to segregation-engineered nanocrystalline Al–Ni–Ce alloys to assess the evolution of microstructure and resulting mechanical behavior as functions of alloying content and annealing conditions. In addition to the identification of alloys and processing conditions that give rise to exceptional thermal stability, strength retention, and homogeneous plastic flow, we construct combined thermal stability and deformation mechanism maps that demarcate several important regimes of behavior.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Quasi-static to Dynamic Mechanical Response and Microstructure Development of Tantalum-Tungsten Alloys

Lawrence Livermore National Laboratory (LLNL) is interested the quasi-static to dynamic mechanical response and microstructure evolution of tantalum-tungsten (Ta-W) alloys (Ta-2.5W, Ta-5W, and Ta-10W, wt.%) made by conventional wrought processing and additive manufacturing (AM). This work scope was performed at the Colorado School of Mines (Mines) and included quasi-static (e.g., 10 -3 s -1 ) mechanical testing in tension and compression, along with selected high strain rate (Kolsky) pressure bar testing in compression (e.g., 10 3 s -1 ), with and without temperature variations in some instances. Complementary microstructure characterization was performed on undeformed and deformed samples to understand the role of processing on microstructural evolution and the deformation mechanisms that impact the mechanical response with variations in strain rate, temperature, and strain state (e.g., tension versus compression in selected examples). The wrought material provided by LLNL from Viridis Materials was found to have unrecrystallized regions within the microstructure, which led to unexpected results relative to previously reported properties for Ta-W. The AM Ta-2.5W (wt.%) material provided by LLNL was found to have higher compressive strength than wrought Ta-2.5W (wt.%), which is hypothesized to be due to differences in the crystallographic texture between the two materials. This project partially supported several postdocs and graduate students at Mines.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Structural and mechanical properties of magnesium aluminate nanoceramics under high pressure

Nanoceramics may have different structural and physical properties compared to their coarse-grained counterparts. Here, we report the high-pressure study of micro- and nano-crystalline MgAl2O4 in order to examine the effect of particle size on the structural stability. A reversible pressure-induced phase transition (cubic to tetragonal) is observed in MgAl2O4 nanocrystals under non-hydrostatic pressure at room temperature, in contrast to the previously reported structural transition of MgAl2O4 at high pressure and high temperature. It is also found that the compressed MgAl2O4 microcrystals do not fracture further below 60 nm, suggesting a plastic deformation mechanism transition. MgAl2O4 with a grain size above ∼60 nm exhibits normal cracking behaviors, but shows metal-like plastic deformation behaviors below this critical size. It is implied that combined ductility and strength can be achieved in nanoceramic MgAl2O4.

Xu, Jianing (ORCID:0000000325474344)↗

NASA NTRS1976

Oceanic lithosphere and asthenosphere: The thermal and mechanical structure

A coupled thermal and mechanical solid state model of the oceanic lithosphere and asthenosphere is presented. The model includes vertical conduction of heat with a temperature dependent thermal conductivity, horizontal and vertical advection of heat, viscous dissipation or shear heating, and linear or nonlinear deformation mechanisms with temperature and pressure dependent constitutive relations between shear stress and strain rate. A constant horizontal velocity u sub 0 and temperature t sub 0 at the surface and zero horizontal velocity and constant temperature t sub infinity at great depth are required. In addition to numerical values of the thermal and mechanical properties of the medium, only the values of u sub 0, t sub 0 and t sub infinity are specified. The model determines the depth and age dependent temperature horizontal and vertical velocity, and viscosity structures of the lithosphere and asthenosphere. In particular, ocean floor topography, oceanic heat flow, and lithosphere thickness are deduced as functions of the age of the ocean floor.

Schubert, G.↗

NASA NTRS1992

Creep deformation of B2 aluminides

The creep resistance and elevated temperature deformation mechanisms in CoAl, FeAl, and NiAl are reviewed. The stress and temperature dependencies of the steady state creep rate, the primary creep behavior, the dislocation substructure, and the response during transient tests are used as the main indicators of the deformation processes. In single phase intermetallics, the influence of grain size, stoichiometry, and solid solution hardening have been examined. In addition, the effect of adding dispersoids, precipitates, and other types of reinforcements to improve creep strength are compared.

Nathal, M. V.↗