The combined effect of carbon and chromium enrichment on 〈1 0 0〉 loop absorption in iron

Bonny, G.; Bakaev, A.; Terentyev, D.

doi:10.1016/j.commatsci.2022.111533

Cited by 6 publications

(2 citation statements)

References 46 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Subsequently, MD simulation analysis was conducted using the large-scale atomic/molecular massively parallel simulator (LAMMPS) designed and developed by Sandia National Laboratory, USA [20]. During the simulation process, the separation of Fe atoms from Cu-Fe alloys was modeled using the interaction potential function introduced by Bonny et al [21], which has been commonly applied to investigate the phase separation phenomenon in Fe-Cu alloys over the past several years [22]. The NPT ensemble was implemented in all the MD simulation steps, and a time step of 2 fs was selected as the periodic boundary condition.…”

Section: Simulation Methodsmentioning

confidence: 99%

Molecular Dynamics Research on Fe Precipitation Behavior of Cu95Fe5 Alloys during Rapid Cooling

Wang,

Gao,

Lai

et al. 2024

Metals

View full text Add to dashboard Cite

To investigate structural changes, the Cu95Fe5 alloy system was subjected to cooling rates of 1 × 1013 K/s, 2 × 1012 K/s, 2 × 1011 K/s, and 2 × 1010 K/s using the molecular dynamics simulation method. The results revealed that decreasing the cooling rate caused an increase in the phase transition temperature. Further, the structure of the alloy system exhibited a tendency towards increased stability following cooling at lower cooling rates. The Fe precipitation behavior of the Cu95Fe5 alloys during cooling at the rate of 2 × 1010 K/s was further explored, with the results suggesting that the formation and growth of the Fe cluster is a continuous process governed by the nucleation and growth mechanism. The size and number of Fe clusters formed at different stages were found to be affected by three factors, namely, the interaction force between the Fe atoms, the diffusion ability of the Fe atoms, and the interfacial energy between the Fe cluster and Cu matrix. When the alloy temperature exceeded 1400 K, the accumulation of the Fe atoms was facilitated by their strong interaction. However, the high temperatures and the large diffusion coefficient of the Fe atoms acted as inhibitors to the growth of Fe clusters, despite the intense thermal activities. As the temperature was reduced from 1400 K to 1050 K, the Fe atoms moved with a reduced intensity in a narrower area, and both the number of Fe atoms in the largest cluster and the number of clusters increased due to the action of the interaction force between the Fe atoms. Upon lowering the temperature from 1050 K to 887 K, the size of the largest Fe cluster increased rapidly, while the number of clusters decreased gradually. The growth of the largest Fe cluster could be partly attributed to the diffusion of single Fe atoms into the cluster under the action of the interaction force between the Fe atoms, in addition to the gathering and combination of multiple clusters. When the temperature was lowered from 967 K to 887 K, the diffusion coefficient of the Fe atoms approached 0, indicating that the non-diffusive local structure rearrangements of atoms dominated in the system structure change process. The interface energy governed the combination of the Fe clusters in this stage. At a temperature below 887 K, the alloy crystallized, the activities of the Fe atoms were reduced due to a low temperature, and the movement range of the Fe atoms was small at a fast cooling rate. As such, both the size and number of Fe clusters showed no obvious changes.

show abstract

Section: Simulation Methodsmentioning

confidence: 99%

Molecular Dynamics Research on Fe Precipitation Behavior of Cu95Fe5 Alloys during Rapid Cooling

Wang,

Gao,

Lai

et al. 2024

Metals

View full text Add to dashboard Cite

show abstract

“…Regarding the first one, the problem of plastic flow localization has been addressed covering all scales, from the study of elementary processes concerning dislocation motion in the matrix, through obstacles [39] and across grain boundaries [40,41], using atomistic simulation techniques, to dislocation dynamics [42] and finite element approaches [43][44][45][46][47]. In particular, the visco-plastic modelling approach developed in [45][46][47] allows the simulation of flow localization in F/M steel structures under neutron irradiation, taking into account finite strains and ductile damage.…”

Section: M4f: Bringing Together Fusion and Fission Materials Communit...mentioning

confidence: 99%

Towards a single European strategic research and innovation agenda on materials for all reactor generations through dedicated projects

Malerba

Agostini

Angiolini

et al. 2022

EPJ Nuclear Sci. Technol.

View full text Add to dashboard Cite

The goal of the ORIENT-NM action is to produce a single European strategic vision on research and innovation concerning nuclear materials in the EU, serving all reactor generations and nuclear systems. The key in this endeavour is to focus on advanced materials science practices that, combined with digital techniques, will enable acceleration in materials development, manufacturing, supply, qualification, and monitoring, in support of nuclear energy safety, efficiency, economy and sustainability. The research agenda will be rooted in existing virtuous examples of nuclear materials science projects. Here the results of three of them are summarised, thereby covering different reactor applications and families of materials, as well as a range of advanced material research approaches. GEMMA addressed a number of key areas concerning the development and qualification of metallic structural materials for GenIV reactor conditions, focusing on austenitic steels and their compatibility with several non-aqueous coolants, their welds and the modelling of their stability under irradiation. INSPYRE was an integrated project applying a basic science approach to (U,Pu)O2 fuels, to develop physics-based models for the behaviour of nuclear fuels under irradiation and improve fuel performance codes. Modelling was also the focus of the M4F project, which brought together the fission and fusion materials communities to study the effects of localised deformation under irradiation in ferritic/martensitic steels and to develop good practices to use ion irradiation as a tool to evaluate radiation effects on materials.

show abstract

Strong Strain Hardening in a Cost-Effective Fe60Cr15Ni16Al9 Medium-Entropy Alloy via Carbon Alloying

Zhang,

Feng,

Cai

et al. 2024

J. of Materi Eng and Perform

View full text Add to dashboard Cite

The combined effect of carbon and chromium enrichment on 〈1 0 0〉 loop absorption in iron

Cited by 6 publications

References 46 publications

Molecular Dynamics Research on Fe Precipitation Behavior of Cu95Fe5 Alloys during Rapid Cooling

Molecular Dynamics Research on Fe Precipitation Behavior of Cu95Fe5 Alloys during Rapid Cooling

Towards a single European strategic research and innovation agenda on materials for all reactor generations through dedicated projects

Strong Strain Hardening in a Cost-Effective Fe60Cr15Ni16Al9 Medium-Entropy Alloy via Carbon Alloying

Contact Info

Product

Resources

About