4.3 Article Proceedings Paper

Interaction of irradiation-induced prismatic dislocation loops with free surfaces in tungsten

Publisher

ELSEVIER SCIENCE BV
DOI: 10.1016/j.nimb.2016.10.006

Keywords

Prismatic dislocation loop; Image force; Radiation damage; Molecular statics; Tungsten

Funding

  1. Grant Agency of the Czech Republic [16-24402S]
  2. Ministry of Education, Youth and Sports of the Czech Republic under the National Sustainability Program II [LQ1601]
  3. National Grid Infrastructure MetaCentrum [CESNET LM2015042]

Ask authors/readers for more resources

The prismatit dislocation loops appear in metals as a result of high-energy irradiation. Understanding their formation and interaction is important for quantification of irradiation-induced deterioration of mechanical properties. Characterization of dislocation loops in thin foils is commonly made using transmission electron microscopy (TEM), but the results are inevitably influenced by the proximity of free surfaces. The prismatic loops are attracted to free surfaces by image forces. Depending on the type, size and depth of the loop in the foil, they can escape to the free surface, thus invalidating TEM observations and conclusions. In this article small prismatic hexagonal and circular dislocation loops in tungsten with the Burgers vectors 1/2(111) and (100) are studied by molecular statics simulations using three embedded atom method (EAM) potentials. The calculated image forces are compared to known elastic solutions. A particular attention is paid to the critical stress to move edge dislocations. The escape of the loop to the free surface is quantified by a combination of atomistic simulations and elastic calculations. For example, for the 1/2(1 1 1) loop with diameter 7.4 nm in a 55 nm thick foil we calculated that about one half of the loops will escape to the free surface. This implies that TEM observations detect only approx. 50% of the loops that were originally present in the foil. (C) 2016 Elsevier B.V. All rights reserved.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.3
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Nanoscience & Nanotechnology

Deformation twinning in vanadium single crystals tested in compression at 77 K

Roman Groger, Zdenek Chlup, Tereza Kubenova

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING (2018)

Review Materials Science, Multidisciplinary

Interplay of slip and twinning in niobium single crystals compressed at 77 K

Roman Groger, Zdenek Chlup, Tereza Kubenova, Ivo Kubena

JOURNAL OF MATERIALS RESEARCH (2019)

Article Materials Science, Multidisciplinary

Impact of non-Schmid stress components present in the yield criterion for bcc metals on the activity of {110}⟨111⟩ slip systems

Roman Groger, Vaclav Vitek

COMPUTATIONAL MATERIALS SCIENCE (2019)

Article Crystallography

Elasticity of Phases in Fe-Al-Ti Superalloys: Impact of Atomic Order and Anti-Phase Boundaries

Martin Friak, Vilma Bursikova, Nadezda Pizurova, Jana Pavlu, Yvonna Jiraskova, Vojtech Homola, Ivana Mihalikova, Anton Slavik, David Holec, Monika Vsianska, Nikola Koutna, Jan Fikar, Dusan Janickovic, Mojmir Sob, Jorg Neugebauer

CRYSTALS (2019)

Article Instruments & Instrumentation

Stability of small vacancy clusters in tungsten by molecular dynamics

Jan Fikar, Robin Schaeublin

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (2020)

Article Engineering, Mechanical

Single crystal yield criterion for chromium based on atomistic studies of isolated 1/2[111] screw dislocations

Roman Groger, Vaclav Vitek

INTERNATIONAL JOURNAL OF PLASTICITY (2020)

Article Materials Science, Multidisciplinary

Effective pair potential for random fcc CoCrFeMnNi alloys

R. Groger, V. Vitek, A. Dlouhy

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2020)

Article Materials Science, Multidisciplinary

Intersections of two stacking faults in zincblende GaN

Zdenek Antos, Petr Vacek, Roman Groger

COMPUTATIONAL MATERIALS SCIENCE (2020)

Article Materials Science, Multidisciplinary

Uniqueness and stability of activated dislocation shapes in crystals

Roman Groger, Jiri Sremr, Jana Vydrova

Summary: The simplified models of thermally activated dislocation glide serve as an important connection between atomic-level studies of isolated dislocations and macroscopic thermodynamic properties of materials. By minimizing the activation enthalpy and solving for the shape of the dislocation line, a unique activated state of the dislocation can be defined, showing that the shape of the dislocation changes with applied stress to maintain the state of minimum activation enthalpy.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2021)

Article Physics, Applied

Defect structures in (001) zincblende GaN/3C-SiC nucleation layers

Petr Vacek, Martin Frentrup, Lok Yi Lee, Fabien C. P. Massabuau, Menno J. Kappers, David J. Wallis, Roman Groeger, Rachel A. Oliver

Summary: The defect structure of zincblende GaN nucleation layers grown on 3C-SiC/Si (001) was investigated, which includes perfect dislocations, partial dislocations, and stacking faults. These defects, especially perfect and partial dislocations, help relieve the compressive lattice mismatch strain in GaN layers. The stacking faults in the layers are mainly bounded by 30 degrees Shockley partial dislocations and occasionally by Lomer-Cottrell partial dislocations, originating from the dissociation of perfect dislocations or direct nucleation of partial dislocations loops from the surface.

JOURNAL OF APPLIED PHYSICS (2021)

Article Engineering, Mechanical

Symmetry-adapted single crystal yield criterion for non-Schmid materials

Roman Groger

Summary: This study demonstrates the invariance of yield criteria in determining plastic deformation onset in crystalline materials under inversion symmetry, as well as the specific yield criterion for non-Schmid materials. The model is applied to body-centered cubic and hexagonal close-packed metals to show the significance of non-Schmid stress terms in predicting yielding onset. In the special case where all non-Schmid stresses vanish, the model simplifies to Tresca's maximum shear stress theory.

INTERNATIONAL JOURNAL OF PLASTICITY (2021)

Article Nanoscience & Nanotechnology

Deformation mechanisms of Al thin films: In-situ TEM and molecular dynamics study

Lucia Bajtosova, Barbora Krivska, Rostislav Kralik, Jozef Vesely, Jan Hanus, Petr Harcuba, Jan Fikar, Ankit Yadav, Miroslav Cieslar

Summary: This study used molecular dynamics simulation method to investigate the mechanical properties of thin aluminum-based films, and compared the results with transmission electron microscope experiments. The simulation results matched well with the experimental results, revealing the importance of grain boundary processes in deformation.

SCRIPTA MATERIALIA (2022)

Article Materials Science, Multidisciplinary

Origin of variable propensity for anomalous slip in body-centered cubic metals

Roman Groger

Summary: A study has found that the phenomenon of anomalous slip in transition metals is closely related to the stability of screw junctions between dislocations. In most bcc metals, these junctions do not break under stress and the dislocations can only move on common crystal planes. However, in alkali metals, tantalum, and iron, the application of stress causes the dislocations to unzip and further glide on predicted planes. These results provide an explanation for the experimentally observed anomalous slip and suggest a reason for its increased propensity in later stages of plastic deformation.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2022)

Article Nanoscience & Nanotechnology

On the bcc/B2 interface structure in a refractory high entropy alloy

Zachary T. Kloenne, Jean-Philippe Couzinie, Milan Heczko, Roman Groger, Gopal B. Viswanathan, William A. T. Clark, Hamish L. Fraser

Summary: A refined microstructure consisting of bcc precipitates embedded in an ordered B2 matrix has been observed in the refractory high entropy alloy AlMo0.5NbTa0.5TiZr, resembling an inverted superalloy-like micro-structure. Coarsening of the microstructure occurs after aging, resulting in a faceted interface. Misfit dislocations at the interface were observed on the {110} interface plane, extending into the bcc phase, and no lattice invariant deformation normal to the primary {110} planes was observed, indicating a pure expansion transformation between the B2 and bcc phases.

SCRIPTA MATERIALIA (2023)

Article Nuclear Science & Technology

Nano-sized prismatic vacancy dislocation loops and vacancy clusters in tungsten

Jan Fikar, Robin Schaublin, Daniel R. Mason, Duc Nguyen-Manh

NUCLEAR MATERIALS AND ENERGY (2018)

Article Instruments & Instrumentation

X-ray-Induced scintillation properties of Cr-Doped Mg4Ta2O9 single crystals in Near-Infrared regions

Taisei Hayashi, Kensei Ichiba, Daisuke Nakauchi, Takumi Kato, Noriaki Kawaguchi, Takayuki Yanagida

Summary: In this study, Cr-doped Mg4Ta2O9 single crystals with different doping levels were synthesized using the floating zone method, and their photoluminescence and scintillation properties were evaluated. The results showed that Cr-doped Mg4Ta2O9 single crystals exhibited broad emission bands in the near-infrared region and showed scintillation characteristics within specific wavelength ranges. Additionally, the samples with different Cr doping levels demonstrated different lower detection limits based on the dose rate response function.

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (2024)

Article Instruments & Instrumentation

Monte Carlo simulation of electron emission from aluminum after low energy protons impact

S. Marouf, A. C. Chami, Y. Boudouma

Summary: This study develops a Monte Carlo simulation approach to describe proton-induced secondary electron emission in solids. Theoretical modeling based on the Mott's elastic scattering cross-section and Lindhard's dielectric function was used to calculate the double differential cross-section (DDCS) of excited electrons and describe electron transport in the medium. The results for aluminum show the angular and energy distributions of backscattered electrons for incident protons with energy below 25 keV at normal incidence, and the total electron emission yield also agrees well with available measurements.

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (2024)

Article Instruments & Instrumentation

Organic-inorganic hybrid perovskite scintillator for high-resolution X-ray imaging

Weipeng Yan, Baojun Duan, Zijian Zhu, Yan Song, Guzhou Song, Jiming Ma, Binkang Li, Yucheng Liu

Summary: This article reports on the scintillation performance of Lithium-doped 2D (PEA)2PbBr4 perovskite single crystals synthesized at room temperature. The crystals exhibit fast decay time, high light yield, and high spatial resolution, making them highly promising for medical diagnostic applications.

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (2024)

Article Instruments & Instrumentation

Influence of thermal annealing on silicon negative ion implanted SiO2 thin films

S. B. Vishwakarma, S. K. Dubey, R. L. Dubey, I. Sulania, D. Kanjilal

Summary: Investigations have been conducted on the implanted SiO2 thin film after thermal annealing using various analytical techniques. The results revealed the absence of vacancy defects, variations in vibrational modes and the formation of new structures. The photoluminescence intensity of the annealed SiO2 samples was higher, with a decrease in non-radiative defect centers and an increase in radiative Si:SiO2 interface states. Additionally, the presence of silicon nanoclusters formed after annealing resulted in an additional radiative recombination peak. Furthermore, the formation of new SiOx structures was observed after thermal annealing.

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (2024)

Article Instruments & Instrumentation

Linear energy transfer dependence of scintillation properties of CeF3

M. Koshimizu, S. Kurashima, A. Kimura, M. Taguchi

Summary: By observing the scintillation time profiles of CeF3 under irradiations of pulsed beams with different LETs, we found that the initial decay was faster for higher LET, which is consistent with previous studies on other self-activated scintillators. This faster decay at higher LET can be explained by the competition between the scintillation caused by 5d-4f transition of Ce3+ ions and quenching due to the interaction between excited Ce3+ ions close to each other.

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (2024)

Article Instruments & Instrumentation

Study on the production of hydrogen atomic beams by stripping negative hydrogen ions in a gas target

Junjie Shi, Jianhong Hao, Fang Zhang, Qiang Zhao, Bixi Xue, Jieqing Fan, Zhiwei Dong

Summary: This study examined the neutralization process and beam quality of a hydrogen beam by emitting negative hydrogen ions to a hydrogen target. The findings showed that the neutralization efficiency was influenced by variables such as the transport distance, energy, and target gas density. However, the maximal neutralization efficiency was not affected by the density of the target gas or the energy of the negative hydrogen ions.

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (2024)