Ab Initio 分子动力学 洞察应力腐蚀裂变和金属氧化物的溶解

The degradation of metals due to natural electrochemical processes is known as corrosion. Rust formation on iron, tarnishing of silver, and the blue-green patina that develops on copper are examples of corrosion. Corrosion involves the oxidation of metals. Sometimes it is protective, such as the oxidation of copper or aluminum, wherein a protective layer of metal oxide or its derivatives forms on the surface, protecting the underlying metal from further oxidation. In other cases, corrosion is...

The corrosion of steel reinforcement within concrete is a process influenced by the material's inherent properties and external factors. The high pH level of around 13, provided by calcium hydroxide present in concrete, initially protects the steel reinforcement by promoting the formation of a passive iron oxide layer on its surface.
However, over time and under certain conditions like carbonation, chloride ingress, and cracking this protective state can be compromised. Steel has areas with...

The stress-strain relationship in ductile materials such as structural steel or aluminium is intricate and progresses through several stages. When a specimen is loaded, it initially exhibits a linear length increase, depicted by a steep straight line on the stress-strain diagram. It indicates the material is elastically deforming and will return to its original shape once unloaded. However, when a critical stress value is reached, plastic deformation begins. This stage sees substantial...

Three-dimensional strain analysis is crucial for understanding how materials deform under stress, particularly in elastic, homogeneous materials. This method employs principal stress axes to simplify complex stress states into more understandable forms. Subjected to stress, a small cubic element within a material either expands or contracts along these axes, transforming into a rectangular parallelepiped. This transformation effectively illustrates the material's deformation. The principal...

Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.