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Weinberger, Christopher R.

Publications and source records attributed to Weinberger, Christopher R..

7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Insights into the soft brittle-to-ductile transition from discrete dislocation dynamics

The Brittle-to-ductile transition (BDT) in body centered cubic metals exhibits a soft transition wherein the fracture toughness gradually rises to before the onset of ductility. The resultant brittle-to-ductile transition temperature can be described with an Arrhenius relationship whose activation energy is related to plasticity in the material. To provide further insight into the nature of the BDTT, in this work we utilized a discrete dislo- cation dynamics model with a crack to simulate the BDT and how it depends on the thermally activated nature of plasticity. The interrelationship between the BDT activation energy and the dislocation mobility parameters were determined via the calculation of first order sensitivity coefficients. This analysis allows us to demonstrate that the activation energy for the BDT is directly related to the activation energy for plasticity through an effective stress that defines this relationship. This effective stress physically is the average stress on the dislocations that move out of the crack. Lastly, we are able to show that this effective stress is dictated by the low temperature fracture toughness or cleave energy of the material and the source position, the latter of which can be affected by processing. Collectively, these results provide new insight into what controls the thermal activation of the BDT and what are the important parameters to control it.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tailoring Carbide Dispersed Steels: A Path to Increased Strength and Hydrogen Tolerance

The use of transition metal carbides is reported for use as a hydrogen trapping mechanism for ferritic and austenitic steel materials. The program combined computational modeling and simulations to guide experiments towards candidate metal carbide traps, both for interfacial and interior trapping. It was found that interfacial trapping is less effective than interior trapping, with the group IVB transition metal carbides being the most effect internal traps with a loss of carbon. The sub-stoichiometric rocksalt structure accommodate the hydrogen atoms in its octahedral interstices. Using percolation theory, carbon loss of approximately 25% or more was sufficient to ensure an interconnected network of vacancies for such trapping from the surface to the internal sites within the carbide. Using this as a guide, the program developed a means to provide a uniform dispersion of ZrC nanoparticles with either Fe or 304L micron-scale powders which was then consolidated by direct current sintering. Electrolytic hydrogen diffusivity studies confirmed the reduction of hydrogen diffusion in the matrix with increasing ZrC content, which was a linear response over the sample range studied (0.01 to 1.0 wt.%). The consolidated material was micro-tensile tested in either a non-hydrogen or hydrogen charge condition and compared to a control with no carbides. Additions up to 0.05 wt.% ZrC increased the yield strength with no loss in ductility in either the non-hydrogen or hydrogen tested condition. ZrC concentrations above this amount further increased the yield strength at the expense of ductility. While these samples had a lower absolute ductility value prior to failure, the relative change in ductility between the non-hydrogen and hydrogen charge states was less for the carbides than that of the control. Metal-rich ZrC nanoparticles were fabricated through a conformal coating process yielding ZrC0.66 particles that were then incorporated into a metal matrix. Notch fatigue testing in a hydrogen environment was conducted where the number of cycles to failure was found to be less in the control than that of the carbide addition. However, the spread in experimental data and the number of samples tested limits a conclusive outcome based on defects noticed in the gauge section of all the powder processed samples. The collective outcomes of this report provide further insight into the mechanisms by which carbides act as hydrogen traps; a means to process such carbides through powder metallurgy; and their associated mechanical performance in either a non-hydrogen or hydrogen-charged condition.

08 HYDROGEN↗
DOE OSTI2022

Hydrogen trapping and storage in the group IVB-VIB transition metal carbides

The transition metal carbides have been known to act as traps for hydrogen in steels as well as potential materials for hydrogen storage. Despite numerous experimental and a few theoretical studies, what impacts hydrogen trapping and storage in the transition metal carbides is not well understood. In this work, we use density functional theory to systematically investigate the bulk trapping and storage capabilities of the transition metal carbides. We specifically examine how trapping and storage changes with the transition metal, from the group IVB to group VIB, carbon concentration, and structure. Our results demonstrate a strong correlation between the trap energy and the number of valence electrons in the transition metal, suggesting that the group IVB transition metal carbides are the best carbides for trapping and storage. Hydrogen preferentially sits at octahedral interstices, e.g., the carbon vacancies, in the structure except in certain cases near the Me 2 C concentration when tetrahedral interstices, devoid of nearest neighbor carbon, can become more favorable. Our results further demonstrate that the lower the carbon concentration, the more hydrogen the transition metal carbide can store. These results demonstrate which carbides will act as the best traps for hydrogen.

08 HYDROGEN↗
DOE OSTI2021

Long-range hydrogen-binding effects of carbide interfaces in iron

A micromechanics model was developed to evaluate the elastic binding energy between carbide precipitates and hydrogen interstitials using Eshelby's equivalent inclusion method. In this work, density functional theory (DFT) simulations were performed to obtain the material-specific quantities, e.g., lattice constants and the elastic constants, for the continuum model. Using this model, we find that for coherent carbide precipitates, hydrogen atoms are more likely to bind on the broad surfaces of the disk-like precipitates, which is consistent with experimental observations. For semicoherent and incoherent precipitates, our model suggests that it is possible for semicoherent precipitates to have significant hydrogen binding capability while there is no hydrogen-binding capability of incoherent precipitates, which also agrees with experimental findings. In addition, several factors that influence the binding energies between hydrogen atoms and carbide precipitates were quantitatively analyzed, including the precipitate size, morphology, orientation, and interface. These collective results include both the position and the value of the strongest hydrogen-binding interaction for a wide range of carbide stoichiometries, which contributes to our understanding of hydrogen trapping in steel-based materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Carbide Nanoparticle Dispersion Techniques for Metal Powder Metallurgy

Nanoparticles (NP) embedded into a matrix material have been shown to improve mechanical properties such as strength, hardness, and wear-resistance. However, the tendency of NPs to agglomerate in the powder mixing process is a major concern. This study investigates five different mechanochemical processing (MCP) routes to mitigate agglomeration to achieve a uniform dispersion of ZrC NPs in an Fe-based metal matrix composite. Our results suggest that MCP with only process controlling agents is ineffective in avoiding aggregation of these NPs. Instead, the uniformity of the carbide NP dispersion is achieved by pre-dispersing the NPs under ultrasonication using suitable surfactants followed by mechanically mixing of the NPs with iron powders in an alcohol solvent which is then dried. High-energy MCP is then used to embed the NPs within the powders. These collective steps resulted in a uniform dispersion of ZrC in the sintered (consolidated) Fe sample.

08 HYDROGEN↗
DOE OSTI2020

Uniaxial compression of [001]-oriented CaFe 2 As 2 single crystals:the effects of microstructure and temperature on superelasticity Part I: Experimental observations

Micropillar compression experiments on [001]-oriented CaFe 2 As 2 single crystals have recently revealed the existence of superelasticity with a remarkably high elastic limit of over 10%. The collapsed tetragonal phase transition, which is a uni-axial contraction process in which As-As bonds are formed across an intervening Ca-plane, is the main mechanism of superelasticity. Usually, superelasticity and the related structural transitions are affected strongly by both the microstructure and the temperature. As such, in this study, we investigated how the microstructure and temperature affect the superelasticity of [001]-oriented CaFe 2 As 2 micropillars cut from solution-grown single crystals, by performing a combination of in-situ cryogenic micromechanical testing and transmission electron microscopy studies. Our results show that the microstructure of CaFe 2 As 2 is influenced strongly by the crystal growth conditions and by subsequent heat treatment. The presence of Ca and As vacancies and FeAs nanoprecipitates affect the mechanical behavior significantly. In addition, the onset stress for the collapsed tetragonal transition decreases gradually as the temperature decreases. These experimental results are discussed primarily in terms of the formation of As-As bonds, which is the essential feature of this mechanism for superelasticity. Our research outcomes provide a more fundamental understanding of the superelasticity exhibited by CaFe 2 As 2 under uni-axial compression.

36 MATERIALS SCIENCE↗