How Long to Read Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures

How Long Does it Take to Read Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures?

It takes the average reader 2 hours and 51 minutes to read Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures by Jialin Liu

Assuming a reading speed of 250 words per minute. Learn more

Description

Nano-structured materials often exhibit very different mechanical properties comparing with their bulk counterpart and are more sensitive and active to chemical interactions with the environments due to the large surface-to-volume ratio. In this thesis, predictive modeling techniques including density functional theory (DFT) and reactive molecular dynamics method (MD) are designed and applied to understand the deformation mechanisms of complex nano-structured material and describe chemical-mechanical coupled interactions. Three technologically important materials are investigated, to understanding the high strain rate toughening mechanism in nacre, predicting the formation and fracture of aluminum oxide bifilms in aluminum castings, and revealing the lithium growth morphology as a function of oxygen partial pressure. For nacre, its hierarchical structure and toughening mechanisms have inspired many materials developments. Recently, a new toughening mechanism, deformation twins was observed in nacre after dynamic loading (103 s--1). The deformation twinning tendency and the competition between fracture and deformation twinning were revealed by DFT calculations. We discovered that the ratio of the unstable and the stable stacking fault energy in aragonite is hitherto the highest in a broad range of metallic and oxide materials and the bonding nature for this high ratio is explained. Both aluminum and lithium have high oxygen affinity. Their interaction with the oxygen environment affects the mechanical properties and vice versa. During casting of aluminum, it has long been proposed that the entrapped alumina "bifilms" are detrimental to the fatigue properties of the cast product. However, its properties have never been measured due to experimental limitations. Therefore, a ReaxFF based MD protocol was designed to simulate aging, folding, and fracture of oxide bifilms. The predicted fracture energy, fracture location, and differences between old and young oxides are explained a series of experimental observations. To illustrate the Li-growth mechanism in a solid-state-battery testing platform, we modeled the morphology of Li nano-structure growth in oxygen environment via ReaxFF-based MD. The simulation revealed that the competition of the Li growth rate and oxidation rate leads to the sphere-nanowire-sphere morphology transition with increasing oxygen partial pressure. Understanding the impact of chemical reaction on Li dendrite growth mechanisms and morphology evolution provided insights on the formation of the solid electrolyte interface (SEI) layer in a Li-ion battery. Finally, a shortcoming of the current charge transfer scheme (qEq) used in the ReaxFF MD simulation is discussed. It is demonstrated that qEq method will lead to overductile ionic materials in the MD simulation. A new Force field method and new parameters are proposed to mitigate this problem.

How long is Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures?

Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures by Jialin Liu is 171 pages long, and a total of 42,921 words.

This makes it 58% the length of the average book. It also has 52% more words than the average book.

How Long Does it Take to Read Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures Aloud?

The average oral reading speed is 183 words per minute. This means it takes 3 hours and 54 minutes to read Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures aloud.

What Reading Level is Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures?

Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures is suitable for students ages 10 and up.

Note that there may be other factors that effect this rating besides length that are not factored in on this page. This may include things like complex language or sensitive topics not suitable for students of certain ages.

When deciding what to show young students always use your best judgement and consult a professional.

Where Can I Buy Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures?

Atomic Simulation on Chemical-mechanical Coupled Deformations in Complex Nano Structures by Jialin Liu is sold by several retailers and bookshops. However, Read Time works with Amazon to provide an easier way to purchase books.

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