Revealing the Effects of Strain and Alloying on Primary Irradiation Defects Evolution in Tantalum Through Atomistic Simulations

Salman, Mohammad Bany; Park, Minkyu; Banisalman, Mosab Jaser

doi:10.1007/s12540-023-01459-x

Cited by 6 publications

(4 citation statements)

References 63 publications

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“…Employing MD simulations through the Reactive Empirical Bond Order, we delved into the atomic-level dynamics of graphite under varied irradiation scenarios, elucidating the implications of hydride inclusion. Radiation-induced defects in graphite are not merely influenced by differing PKA energy levels (10,20,40, and 80 keV), unique displacement trajectories, PKA species, or thermal interactions. They also hinge on the nature of the cascade patterns-whether isolated or cumulative-and collision densities.…”

Section: Discussionmentioning

confidence: 99%

“…For example, at 80 keV, there is a notable gap in defect counts among the five displacement directions, but this gap narrows at 10 keV. This is not unique to carbon; materials like Iron and Tungsten show similar patterns [38][39][40]. The amplified differentiation at higher energies might arise from inherent directional threshold variations and the effects of focused cascade collisions.…”

Section: The Impact Of Displacement Direction On the Frenkel Pairs Ki...mentioning

confidence: 99%

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Molecular Dynamics Analysis of Collison Cascade in Graphite: Insights from Multiple Irradiation Scenarios at Low Temperature

Alnairi,

Jaser Banisalman

2024

Crystals

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In our study, we utilize molecular dynamics simulations, specifically through the Reactive Empirical Bond Order, to unravel atomic-scale dynamics in graphite, an essential component in many advanced technologies, under varying irradiation scenarios. We shed light on the behavior of graphite when exposed to Primary Knock-on Atom (PKA) energies of 10, 20, 40, and 80 keV. The findings highlight the radiation vulnerability of graphite, especially when influenced by hydride inclusion. Both pristine graphite and its hydride variant exhibited an increase in Frenkel pairs (FPs) with escalating PKA energies. Notably, carbon PKAs manifested significant FP effects, whereas hydrogen PKAs influenced defect formation through variable diffusivity. In tested radiation scenarios, particularly in Mode C and the R1 region, cascade patterns identified distinct defect forms of diamond-like and elongated-diamond-like shapes, distinct from the typical PKA collision clusters. Furthermore, our cascade findings emphasize the formation of three-coordinated graphite rings, particularly as PKA energies increase. The graphite population statistics reveal a decline in threefold-coordinated atoms and an increase in other types of defects, with 7-carbon atom rings being the most common. Our research highlights the significance of understanding three-coordinated graphite rings, especially as PKA energies rise. Graphite population statistics reveal a decline in threefold-coordinated atoms and a rise in other defects. Notably, 7-carbon atom rings are the most common. From a clustering perspective, self-interstitial atom (SIA) clusters predominated in pristine graphite, while this trend balanced in the hydride variant. Our research highlights the importance of understanding atomic behaviors in graphite under several radiation scenarios. This knowledge is needed for advancing reliable and efficient technological applications, particularly in the field of nuclear technology. Our research underscores the need to understand atomic behaviors in graphite under radiation, paving the way for detailed study on reliable efficient technological applications.

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Section: Discussionmentioning

confidence: 99%

Section: The Impact Of Displacement Direction On the Frenkel Pairs Ki...mentioning

confidence: 99%

Molecular Dynamics Analysis of Collison Cascade in Graphite: Insights from Multiple Irradiation Scenarios at Low Temperature

Alnairi,

Jaser Banisalman

2024

Crystals

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“…The addition of W into Ta plays a very important role in the microstructure and crystallographic texture evolution of the alloy. W addition can decrease the tendency to develop γ-fiber during CR [20,73]. Further, both Ta and Ta-W alloys exhibit the formation of αand γ-fiber on CR.…”

Section: Deformed Microstructure and Texture Evolutionmentioning

confidence: 95%

“…Ta is a refractory transition metal in Group V widely used for key structural components often exposed to harsh physico-chemical environments, due to its superb strength, ductility and corrosion and radiation resistance over a wide range of strains, strain rates and temperatures [72,73]. The mechanical behavior of Ta and its alloys has been a focal point of research to facilitate their applications in diverse mechanical, thermal and chemical conditions.…”

Section: Tantalum and Its Alloysmentioning

confidence: 99%

Evolution of Microstructure and Crystallographic Texture in Deformed and Annealed BCC Metals and Alloys: A Review

Tandon,

Park,

Khatirkar

et al. 2024

Metals

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Dislocation slips, twinning, shear banding (SBs), strain localization, and martensite formation are a few deformation modes that are activated in BCC metals and alloys. Strain, strain rate, and deformation temperature are other parameters that determine the activation of deformation modes in BCC alloys. This review focuses on several BCC alloys, such as beta-titanium (β-Ti), tantalum (Ta), and ferritic stainless steels (FSSs), all of which exhibit differences in deformation behavior. These alloys often undergo thermo-mechanical processing (TMP) to enhance their mechanical properties. TMP leads to the evolution of deformation-induced products, such as SBs, strain-induced martensite (SIM), strain localizations, and mechanical/deformation twins (DTs) during plastic deformation, while also influencing crystallographic texture. The deformation modes in β-Ti depend upon the stability of the β-phase (i.e., β-stabilizers); low-stability alloys show the formation of SIM along with slips and twins, whereas in highly stable β-Ti alloys, only slip+twin modes are observed as the primary deformation mechanisms. In the case of Ta, slip activity predominantly occurs on {110} planes, but it can also occur on planes with the highest resolved shear stress. The breakdown of Schmid’s law or non-Schmid behavior for Ta and Ta-W alloys has been discussed in detail. The cold rolling (CR) of FSSs results in the formation of ridges, which is an undesirable phenomenon leading to very low formability. The microstructures of the rolled sheets consist of elongated ferrite grains with in-grain SBs, which are preferentially formed in the γ-fiber-oriented grains. The formation of finer grains after recrystallization improves both the mechanical properties and ridging resistance in FSS. Therefore, this review comprehensively reports on the impact of TMP on the microstructural and crystallographic texture evolution during the plastic deformation and annealing treatment of β-Ti, Ta alloys, and FSSs in BCC materials, using results obtained from electron microscopy and X-ray diffraction.

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Microstructure evolution and cyclic thermal behavior of Ta‒10W cladded onto the inner surface of steel tube by explosive welding

Kim,

Kim

et al. 2025

Materials Science and Engineering: A

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Revealing the Effects of Strain and Alloying on Primary Irradiation Defects Evolution in Tantalum Through Atomistic Simulations

Cited by 6 publications

References 63 publications

Molecular Dynamics Analysis of Collison Cascade in Graphite: Insights from Multiple Irradiation Scenarios at Low Temperature

Molecular Dynamics Analysis of Collison Cascade in Graphite: Insights from Multiple Irradiation Scenarios at Low Temperature

Evolution of Microstructure and Crystallographic Texture in Deformed and Annealed BCC Metals and Alloys: A Review

Microstructure evolution and cyclic thermal behavior of Ta‒10W cladded onto the inner surface of steel tube by explosive welding

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