Cluster dynamics simulation of deuterium retention behaviors in irradiated beryllium

Abstract

The long-term dynamics evolution behaviors of deuterium in beryllium under different irradiation conditions are investigated using the cluster dynamics model.

Thermal Pyrolysis Behavior and Decomposition Mechanism of Lignin Revealed by Stochastic Cluster Dynamics Simulations

“…Generally, a reliable representation of the time evolution of such complex populations of species requires solving a large number of ordinary differential equations (ODEs), and each combination of molecule species requires its own equation. 17 The computational cost of solving these equations is determined by the total number of ODEs, which means that handling multidimensional species populations may lead to coarser grids. Thus, it will result in the under-resolution of potentially important details in the reaction networks.…”

“…To overcome this complexity challenge, a truncation and approximation of the tails of the evolving species distribution is necessary. 17,18 Here, we have employed a semidetailed kinetic model for lignin pyrolysis, which aims to predict the compositions and product distribution during lignin pyrolysis under both slow and fast pyrolysis conditions. As a powerful tool for modeling the dynamics of complex systems by simulating the interactions between individual elements within a system, the stochastic cluster dynamics (SCD) approach was used to simulate the thermal pyrolysis behavior of lignin.…”

“…Thus, it will result in the under-resolution of potentially important details in the reaction networks. To overcome this complexity challenge, a truncation and approximation of the tails of the evolving species distribution is necessary. , …”

Stability and migration of transmutation atoms (H/He) in Ti3AlC2: first principles calculations

“…For example, it has been recognized that a large amount of intrinsic defects (self-interstitials and vacancies) will be produced in fast neutron irradiation. Further, these defects will aggregate into clusters and migrate throughout the structural material, 8 which ultimately leads to the degradation of mechanical properties, such as irradiation-induced creep, swelling, hardening, blistering, and embrittlement. [9][10][11][12] As one of the typical MAX phase, the extensive efforts have been devoted to the study of irradiation properties of Ti 3 AlC 2 , [13][14][15][16][17] which shows excellent tolerance of nanometerscaled amorphization and irradiation damages under neutron/ion irradiation.…”

Atomic simulation of helium trapping in displacement cascades

“…in fusion materials, which may affect the properties of the materials. [3][4][5][6][7] Furthermore, a great many helium atoms derived from (n, a) transmutation reactions will accumulate in the rst wall material and the approximate atomic concentration of helium atoms may reach up to 1.0% (10 000 appm) at the end of the envisaged life of the rst wall material. 1 It is widely known that helium atoms are almost insoluble in iron and they may be trapped in iron through two types of mechanism.…”