Mechanical Engineering Commons^™

A Simple Embedded Atom Potential For Palladium-Hydride, Yang Zhang

Theses, Dissertations and Capstones

Metal Hydride systems are an important research topic in material science because of their many practical, industrial, and scientific applications. Therefore, the development of reliable and efficient interatomic potentials for metal hydrides systems, to be utilized in atomistic modeling, can be of great value in accelerating the research in this field. The embedded-atom method (EAM), based on the density functional theory (DFT), has the advantage of being both computationally efficient and being well suited for modeling metal hydride systems. In this work, the author has developed an efficient EAM potential for the palladium hydride (Pd-H) alloy system. Contrary to previously …

Quantitative Understanding Of Nanoparticle Flocculation In Water Treatment, Sungmin Youn

All Engineering Faculty Research

Flocculation is critical in drinking water treatment; in flocculation, the particle size distribution changes from a large number of small particles to a small number of larger particles. Larger particles are effectively removed by settling and filtration processes that follow flocculation. In recent years, manufacturing of engineered nanoparticles has skyrocketed, and these nanoparticles can enter our water supplies, but knowledge of their fate in water treatment is limited. The objective of this research was to update knowledge of flocculation by extending previous work at the microscale to the nanoscale.

Flocculation involves transport of particles to the vicinity of one another …