相关论文: Effects of applied strain on radiation damage gene…
Irradiation-induced vacancy evolution in face-centered cubic (FCC) Ni under mechanical strains was studied using molecular dynamics simulations. Applied hydrostatic strain led to different stable forms of vacancy clusters, i.e., voids under…
Defects formed under irradiation in the bulk act as additional pinning centers resulting in the well-known effect of radiation-induced hardening. On the other hand, there is a poorly understood but well-established effect of instant and…
In this paper, the effect of twin boundaries on the crack growth behaviour of single crystal BCC Fe has been investigated using molecular dynamics simulations. The growth of an atomically sharp crack with an orientation of (111)$<$110$>$…
Fe-Cr binary alloys serve as simplified model systems to study irradiation damage relevant to fusion structural materials. Here, Fe-3%Cr and Fe-5%Cr samples were irradiated with 4 MeV Fe ions under a dose rate of 4x10^5 dpa/s across a…
Ion implantation is widely used as a surrogate for neutron irradiation in the investigation of radiation damage on the properties of materials. Due to the small depth of damage, micromechanical methods must be used to extract material…
Irradiation-induced ductility loss is a major concern facing structural steels in next-generation nuclear reactors. Currently, the mechanisms for this are unclear but crucial to address for the design of reactor components. Here, the…
Understanding the dynamic behavior of microstructures formed under fusion conditions is critical for designing high-performance structural materials for fusion reactors. Under fusion conditions, cavities of core-shell structures are formed…
We investigate the effect of external stresses on structural and mechanical properties of a strained damaged thin layer by developing a continuum phase-field mesoscale model based on the introduction of an order parameter field, the defect…
This study investigates the torsional mechanical properties of pristine iron (Fe) and carbon-doped iron (FeC) nanowires with [001] orientation through molecular dynamics simulations utilizing the Modified Embedded Atom Method (MEAM)…
Strain can affect the morphology of a crystal surface, and cause modifications of its reconstruction even when weak, as in the case of mechanical bending. We carried out calculations of strain-dependent surface free energy and direct…
In this paper we report a computational study of the effects of strain on the conductivity of Y-doped ceria (YDC). This material was chosen as it is of technological interest in the field of Solid Oxide Fuel Cells (SOFCs). The simulations…
Radiation creep and swelling are irreversible deformation phenomena occurring in materials irradiated even at low temperatures. On the microscopic scale, energetic particles initiate collision cascades, generating and eliminating defects…
We investigate the basic thermal, mechanical and structural properties of body centred cubic iron ($\alpha$-Fe) at several temperatures and positive loading by means of Molecular Dynamics simulations in conjunction with the embedded-atom…
The structure and stability of iron near melting at multi-megabar pressures are of significant interest in high pressure physics and earth and planetary sciences. While the body-centered cubic (BCC) phase is generally recognized as unstable…
The strength of electronic correlation effects in the spin-dependent electronic structure of ferromagnetic bcc Fe(110) has been investigated by means of spin and angle-resolved photoemission spectroscopy. The experimental results are…
Neutron irradiation induces in steels nanostructural changes, which are at the origin of the mechanical degradation that these materials experience during operation in nuclear power plants. Some of these effects can be studied by using as…
The threshold displacement energy (TDE) is the minimum amount of kinetic energy required to displace an atom from its lattice site. The magnitude of the TDE displays significant variance as a function of the crystallographic direction,…
Molecular dynamics simulations are performed to investigate the structural phase transition in body-centered cubic (bcc) single crystal iron under high strain rate loading. We study the nucleation and growth of the hexagonal-close-packed…
Understanding and predicting a material's performance in response to high-energy radiation damage, as well as designing future materials to be used in intense radiation environments, requires the knowledge of the structure, morphology and…
In order to improve the understanding of damage evolution in mechanically heterogeneous microstructures, like the ones of dual-phase steels, the influence of the applied stress state is a key element. In this work, we studied the influence…