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At least 199 records · Page 11

All sources NASA NTRS DOE OSTI

DOE OSTI2025

Thermal shock resistance of lightweight cements developed for geothermal conditions

Cements are a critical component in well construction, as they act to prevent well fluid and gas escape, prevent corrosion of the casing, and strengthen the wellbore to prevent deformation. Under the high temperature/pressure conditions common in geothermal systems, the injection of cold water for energy production is expected to induce cyclic damage to the borehole cement through the rapid temperature fluctuations. These “thermal shocks” are expected to cause casing shrinkage, annulus formation, and cement tensile stresses. To understand the effect of cold water injection on the wellbore environment, a set of rock-cement-steel samples were created to simulate the structure of a geothermal well. Lightweight thermally-insulating cement blends were tested under thermal shock conditions in this study. In each test, the samples were pressurized to an effective pressure of ~3.5 MPa and placed at high temperatures. Thermal shocks were performed by injecting cold water (~10-15 °C) through the samples at a constant rate while keeping the samples at high temperatures until the sample temperature stopped decreasing and deformation ceased. Eight thermal shock tests were conducted with each sample – two at 100 °C and six at 200 °C. Post-tests analysis was then conducted by cutting open each sample to examine the damage in each component of the simulated wellbore. Experimental results suggest that all samples experienced similar degrees of axial and lateral contraction during cold water injection, but for the most part this contraction is recoverable when injection halts. Post-test analysis revealed that fly ash cenosphere pre-treatment had the best effect on improving thermal shock resistance in the cement blends. Thermomechanical modeling of likely stress paths experienced by the cements during heating/cooling cycles shows that elasto-plastic cement constitutive behavior results in most plastic strain occurring during the initial heating steps, with mostly elastic strain occurring during the thermal shock cycles. In conclusion, this agrees with experimental evidence, suggesting that cement damage from shocking occurs via other mechanisms such as chemical alteration, corrosion, and fatigue.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Detection of voids in hydrogen embrittled iron using transmission X-ray microscopy

Hydrogen embrittlement remains a barrier to widespread adoption of hydrogen as a carbon-neutral energy source. Here, hydrogen embrittlement mechanisms are investigated across length scales in iron using transmission X-ray microscopy (TXM), digital image correlation (DIC), and notched tensile testing during in-situ electrochemical hydrogen charging. TXM reveals void size and spatial distribution ahead of a propagating crack. We find hydrogen charging leads to voids within ~10 μm of the crack tip and suppression of voids beyond this distance. Near the crack tip, voids are elongated in the direction of the crack and are smaller than voids in an uncharged sample. In the presence of hydrogen, these voids lead to quasi-cleavage fracture and a sharper crack tip. DIC shows localization and reduction of plastic strain with hydrogen charging, and tensile testing reveals a reduction in fracture energy and elongation at failure. Finally, these results are discussed in the context of hydrogen embrittlement mechanisms.

08 HYDROGEN↗

DOE OSTI2022

A molecular dynamics survey study of impact-induced amorphization in yttria nanoparticles

The impact of a single yttria (Y 2 O 3 ) nanoparticle onto a yttria substrate was studied as a function of particle velocity (300–1200 m/s) and diameter (5–12 nm) for three particle orientations and two substrate orientations using molecular dynamics simulations. Impacts resulted in minimal dislocation motion but extensive disordering of the crystal lattice without approaching the melting temperature. The resulting amorphous microstructure was both precisely coincident with plastic strain and retained until the end of the simulation, suggesting a deformation mechanism of amorphization-facilitated viscous flow. Further analysis revealed that the degree of amorphization depended primarily on the impact velocity and secondarily on the orientations of the particle and substrate, with significant second-order effects from variable interactions.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Mechanical, corrosion, and wear properties of biomedical Ti–Zr–Nb–Ta–Mo high entropy alloys

The microstructures, mechanical, corrosion, and wear behaviors of the Ti x ZrNbTaMo (x = 0.5, 1, 1.5, and 2, molar ratio) high entropy alloys (HEAs) were studied in this work. It was found that the Ti–Zr–Nb–Ta–Mo HEAs showed a dendrite structure with two body-centered-cubic (BCC) solid solution phases. The Ti 0.5 ZrNbTaMo HEA exhibited a high hardness of about 500 HV, high compressive strength approaching 2,600 MPa, and large plastic strain of over 30%. Furthermore, the highly-protective oxide films formed on the surface of Ti–Zr–Nb–Ta–Mo HEAs in the phosphate buffer saline (PBS) solution, which resulted in the high corrosion resistance of the HEAs. The Ti–Zr–Nb–Ta–Mo HEAs exhibited the greater dry- and wet-wear resistance than that of the traditional biomedical Ti6Al4V alloy. The results also indicated that with the decrease in the Ti content, the wear resistance of the Ti–Zr–Nb–Ta–Mo HEAs in the PBS solution improved. Finally, the Ti 0.5 ZrNbTaMo alloy presented the highest corrosive wear resistance among the four HEAs owing to its combination of good mechanical properties and high chemical stability.

36 MATERIALS SCIENCE↗

DOE OSTI2023

An innovative and alternative approach toward gear fabrication

In this paper, we present the first demonstration of single-step gear manufacturing via an innovative in-situ friction stir forging approach. This novel process is a natural extension to the friction stir processing technique and relies on shear and normal stresses to form the complex shapes. Friction stir welding pin tool with shoulder is plunged at high revolutions per minute (rpm) into the sample to heat it to the desired temperature and enable plastic flow. Then, the tool is forged at high plunge rate to form the desired structurally-sound and defect free complex shapes. To better visualize the process the experiments are complemented by a 3D thermomechanically coupled, smoothed particle hydrodynamics (SPH) model to understand the material flow pattern both radially and through thickness in the gear teeth, plastic strain distribution, and temperature profile. We have demonstrated application of I-FSF to inherently poor formable AZ31 Mg, AA 7075-T6, and AA5083–10 vol% TiB 2 composite and fabricated 14-tooth spur gears from these materials with minimal farther machining. In conclusion, microstructure of the forged gears exhibited a directional material flow pattern due to the normal forging action and refinement of grains to 6–13 μm through dynamically recrystallization across the radial, through-thickness direction, which is in good agreement with the corresponding SPH simulation results.

42 ENGINEERING↗

DOE OSTI2024

Mitigation of distortion of Al/steel part under simulated paint baking condition: Experiment and numerical model studies

Multi-material joining of lightweight structures is essential to reduce vehicle weight for more energy savings and less greenhouse gas emission. However, mismatch of thermal expansion coefficient for dissimilar materials during the paint baking process can induce part distortion and joint failure for adhesive bonding. Here, in the present work, a thermomechanical model based on contact mechanics and large deformation theory was developed for dissimilar high-strength Al alloy and steel components to study the distortion mechanism and influential factors of the residual gap. The established model was used to optimize joint conditions, such as pitch distance and part geometry. When a weld pitch is shorter than 100 mm, the maximum gap between Al and steel part can be greatly reduced to 0.1 mm, and the local stress and plastic strain around the joint during the oven heating and cooling cycle are also substantially reduced compared with the long pitch case (900 mm). The numerical modeling results revealed that a comparable bending stiffness ratio between the steel and Al cross sections is critical to the minimization of gap and distortion under paint baking condition. Digital image correlation technique was used to measure the overall part distortion and local strain distribution that were used to validate the model prediction. Weld bonding (adhesive bonding with friction bit joining) process was successfully employed to join Al to steel component without gap opening in adhesive after the paint baking and cooling.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Changes in dislocation punching behavior due to hydrogen-seeded helium bubble growth in tungsten

The accumulation of gas atoms in tungsten is a topic of long-standing interest to the plasma-facing materials community due the metal's use as a divertor material in some tokamak fusion reactors. The nucleation and growth of He/H gas bubbles (along with their isotopes) can result from impinging fluxes of these gases which give rise to damage at the W divertor surface. The inclusion of He or H in W has been studied extensively by the community, finding that He bubbles modify the surface through periodic dislocation punching and bursting mechanisms while H bubbles impact the metal through plastic-strain induced material failure. However, the mechanisms which are present during the combined flux of both He and H is not well-studied atomistically. Motivated by this, an atomistic modeling study is conducted using molecular dynamics to assess the behavior of mixed concentration He:H bubbles in W. Here we find that the introduction of H into a growing He bubble results in a dramatic change in the nature and presence of dislocation loops which are typically generated via dislocation punching in over-pressurized He bubbles. Most notably, at high H concentrations, there is a switchover in energetic favorability from glissile 1/2<111> dislocations to sessile <100> dislocations. This thermodynamic crossover could imply a significant reduction in W surface morphology changes than with pure He bubbles and, additionally, we show this to have implications on the trapping of H in the bubbles and their associated dislocations.

36 MATERIALS SCIENCE↗

DOE OSTI2025

The impact of nickel concentration and stacking fault energy on deformation mechanisms in high-purity austenitic Fe-Cr-Ni alloys

Understanding how composition affects deformation mechanisms in austenitic stainless steels is essential for developing accurate predictive models of stress-induced failures and stress corrosion cracking. Nickel (Ni), an element classified as a critical element, plays a crucial role in these processes. It is important to examine how Ni concentration influences stacking fault energy (SFE) and, consequently, the deformation mechanisms of austenitic stainless steels. However, in commercial stainless steels, the effects of other alloying elements and impurities can obscure Ni's role, complicating efforts to isolate its impact. Here, in this study, we use two high-purity Fe-Cr-Ni alloys to investigate how Ni concentration and SFE interact to alter deformation mechanisms and induce martensitic transformation. By combining in situ synchrotron X-ray diffraction (XRD) tensile testing and post-mortem electron microscopy with density functional theory simulations, we gain precise insights into these phenomena. We find that the Fe18Cr10Ni (wt%) alloy, with its low SFE, exhibits higher stacking fault probability, deformation-induced martensitic transformation, and a lesser increase in dislocation density with plastic strain. In contrast, the Fe18Cr14Ni (wt%) alloy, with its higher SFE, shows enhanced deformation twinning and greater dislocation density with increasing strain. These findings from high-purity ternary alloys provide valuable insights that can guide the search for alternative elements to replace Ni while achieving similar effects on phase stability and deformation behavior.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Exceptional strength and wear resistance in an AA7075/TiB 2 composite fabricated via friction consolidation

The friction consolidation method successfully reinforced aluminum 7075 alloy (AA7075) with high-volume fractions (12 and 24 vol%) of titanium diboride (TiB 2 ) by high pressure and severe plastic deformation at elevated temperatures. The consolidated AMCs have a uniform dispersion of submicron- and micron-sized TiB 2 particles in the AA7075 matrix, with significant refinement of the matrix grain size and the particles. The addition of TiB 2 significantly increases hardness by up to 50 %, Young’s modulus by up to 62 %, and ultimate tensile strength by up to 28 % to 672 MPa, while reducing ductility by 80 %. Wear resistance of 7075/24 vol% TiB 2 improves seven-fold compared to baseline, making it comparable to that of carburized steels. Microstructure-based finite element modeling provided a theoretical strength limit of ~730 MPa for the composites and indicated that high triaxiality in conjunction with severe equivalent plastic strain in a narrow area between the TiB 2 particles led to early fracture initiations, limiting the ductility.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Microstructure manipulation via machining and heat treatments in hybrid manufacturing of 316L stainless steel

Hybrid manufacturing combines additive and subtractive (machining) processes in a single platform to reduce the total time to fabricate a component in its final form. Here we show that if sufficient plastic deformation can be imparted to the material during machining, recrystallization can be triggered during post-fabrication heat treatment. This can enable highly localized microstructure control. Additionally, we show that stainless steel 316L, when machined without coolant accumulates significant plastic strain compared to when machined with coolant that results in faster recrystallization kinetics during heat treatment. These effects are limited to the surface while the bulk microstructure remains unaffected.

316L stainless steel↗

DOE OSTI2024

Influence of intermediate carbon content on the microstructure and high-temperature mechanical properties of cast and wrought Ni-based superalloy nimonic 105

NIMONIC® 105 variants with three different carbon concentrations were manufactured. Here, the medium carbon content variant shows inferior creep properties due to a bimodal grain size distribution and non-uniform carbides repartition leading to plastic strain accumulation between the two domains. Here, this eventually facilitated facile cracking and void formation during high-temperature creep.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Strengthening mechanisms for microstructures containing unimodal and bimodal γ' precipitates in ATI 718Plus

Here, the influence of γ' precipitate size distribution on the deformation mechanisms under tensile loading in ATI 718Plus was studied. A set of aging treatments within the temperature range of 720 °C–900 °C was performed on solution-treated samples to obtain various γ' precipitate size distributions. Unimodal and bimodal γ' precipitate size distributions were achieved through single-step and two-step aging sequences, respectively, and such microstructures were tensile tested to failure to assess their yield strength, ultimate tensile strength, and elongation-to-failure. Some of the tensile samples were interrupted after achieving 3–4 % plastic strain, and the deformed microstructures were examined using transmission electron microscopy to investigate the γ' precipitate-dislocation interactions. For the unimodal γ' precipitate size distribution samples with the smaller γ' precipitates (radius ~ 7 nm), dislocations sheared through the precipitates. Both dislocation loops and paired dislocations were observed for the microstructures containing larger γ' precipitates (radius ~ 24 nm). The microstructure containing a bimodal γ' precipitate size distribution, which included average γ' precipitate radii of ~6 nm and ~28 nm, exhibited shearing as the dominant deformation mechanism, and this microstructure exhibited the highest strength values. The experimental observations were rationalized based on the theoretically-calculated critical resolved shear stress values for shearing and looping and a modified model for predicting the yield strength for bimodal microstructures was introduced.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Dynamic phase transformations in additively manufactured Ti-6Al-4V during thermo-mechanical gyrations

A complex interaction of process parameters, geometry and scan strategies in Additive Manufacturing (AM), can bring about spatial and temporal transients, i.e., Σ T ( x, y, z, time ), within a part. Published literature focusses on fluctuating thermal cycles on the microstructure evolution. However, the microstructural variations have not been correlated to dynamic flow behavior due to the macro- and micro-scale phenomena, i.e., accumulated plastic strains brought about by large thermal gradients, transformational strains and crystallographic misfit strains. Therefore, here we studied the mechanical response of Ti6Al4V alloys produced by AM under externally imposed controlled thermo-mechanical reversals in a Gleeble® thermo-mechanical simulator. The stress-strain behaviors were correlated to phase fractions, lattice strains, and also limited information on crystallographic texture using neutron diffraction techniques at the VULCAN Beamline at SNS, ORNL and also metallographic studies. The results are discussed and rationalized based on theories of static and dynamic phase transformations.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Role of thermo-mechanical gyrations on the α/β interface stability in a Ti6Al4V AM alloy

Fluctuating energy distributions experienced during Additive Manufacturing yield an evolution of spatial and temporal transients within a part. In general, the in-situ monitoring of these transients is near to impossible during manufacturing. In order to then gain perspective into the impact on these localized thermo-mechanical transients on the interface stability, rapid thermo-mechanical reversals with known boundary conditions are imposed on an AM Ti6Al4V alloy which resulted in a phase transformation leading to an increased β phase stability. Our goal with this study is to comprehend the kinetics of this phase transformation with concepts of stored energy due to plastic strain accumulation and diffusion kinetics. Atom Probe Tomography is employed to study the partitioning of the solute elements across the interface. As expected, the thermo-mechanically cycled samples showed a reduced Vanadium concentration across the β phase. Finally, this concentration profile across the interface, alongside a full-width-half-max analysis, provided insight on the potential phase transformation kinetics involved in the α → β transformation subject to thermo- mechanical gyrations.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Local structural ordering determines the mechanical damage tolerance of amorphous grain boundary complexions

Amorphous grain boundary complexions act as toughening features within a microstructure because they can absorb dislocations more efficiently than traditional grain boundaries. This toughening effect should be a strong function of the local internal structure of the complexion, which has recently been shown to be determined by grain boundary crystallography. To test this hypothesis, molecular dynamics are used here to simulate dislocation absorption and damage nucleation for complexions with different distributions of structural short-range order. Here, the complexion with a more disordered structure away from the dislocation absorption site is actually found to better resist crack nucleation, as damage tolerance requires delocalized deformation and the operation of shear-transformation zones through the complexion thickness. The more damage tolerant complexion accommodates plastic strain efficiently within the entire complexion, providing the key mechanistic insight that local patterning and asymmetry of structural short-range order controls the toughening effect of amorphous complexions.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Linking structural and rheological memory in disordered soft materials

Linking the macroscopic flow properties and nanoscopic structure is a fundamental challenge to understanding, predicting, and designing disordered soft materials. Under small stresses, these materials are soft solids, while larger loads can lead to yielding and the acquisition of plastic strain, which adds complexity to the task. In this work, we connect the transient structure and rheological memory of a colloidal gel under cyclic shearing across a range of amplitudes via a generalized memory function using rheo-X-ray photon correlation spectroscopy (rheo-XPCS). Our rheo-XPCS data show that the nanometer scale aggregate-level structure recorrelates whenever the change in recoverable strain over some interval is zero. The macroscopic recoverable strain is therefore a measure of the nano-scale structural memory. We further show that yielding in disordered colloidal materials is strongly heterogeneous and that memories of prior deformation can exist even after the material has been subjected to flow.

Kamani, Krutarth M. [Univ. of Illinois at Urbana-C↗

DOE OSTI2022

Large-scale atomistic studies of sliding friction in polycrystalline aluminum interfaces

In this work, we discuss large-scale non-equilibrium molecular dynamics (NEMD) simulations of ductile metal sliding comprising up to 1.8 × 10 9 atoms over time scales of 100 ns. The results of these simulations have identified a variety of physical mechanisms that are important in determining the steady-state frictional force for a wide range of velocities at compressed metal–metal interfaces. These include grain growth and refinement, the evolution of large plastic strains and strain rates, material mixing, and melting. These phenomena can be included in a strain, strain rate, and grain size model that gives good agreement with the NEMD simulations and can be applied to macroscopic continua.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

A novel method may reveal bulk metallic glass compressive ductility trends in high data rate nanoindentation

Recent methods allow novel amorphous alloy compositions to be rapidly manufactured at small scale; however, obtaining materials properties such as compressive ductility from these smaller specimens has remained a challenge. Here, we suggest a potential high-throughput nanoindentation method that may be able to rapidly characterize the relative compressive ductility between these alloys based on their serration characteristics. The properties of emergent serrations, when interpreted in a simple micromechanical stress relaxation model, may order these materials by their compressive plastic strain to failure. These results are consistent with the ordering obtained from compressed specimens as well as with model simulations, suggesting that this model may be broadly useful for interpreting compressive ductility from nanoindentation serrations. After it is validated on more materials, this new method will match the rapid pace of amorphous alloy development, thus allowing metallic glass properties to be fine-tuned for each application prior to scale prototyping.

36 MATERIALS SCIENCE↗