Graduate Student Seminar
October 25, 2024
12:45 p.m. ET
Wean Hall 7500
October 25, 2024
12:45 p.m. ET
Wean Hall 7500
Large-scale deployment of first-principles electronic structure calculations in combination with the ever-increasing power and availability of massively parallel supercomputers have launched in past couple of decades an entirely new paradigm in modern materials science. Intuition and serendipity that were the hallmarks of materials discovery are now complemented by theory-guided searches, which have resulted in a number of important findings. However, using theory and computations to propose, with a high degree of confidence, novel and useful metastable materials still represents a significant challenge. In this talk I will present our recent attempts to solving some of the problems hindering theory-guided discovery and design of metastable phases with the particular focus on covalent and partially ionic solids. More specifically, I will discuss experimental realizability (synthesizability) of metastable crystalline phases (or polymorphs) in connection to the specific features of the potential energy surface leading to an effective computational methodology to search for, and rank potentially metastable states according to their realizability. Next, I will talk about our efforts in developing computational methods to enable large-scale assessment of the polymorph lifetimes. These are predicated on the novel solution to the problem of finding an optimal atom-to-atom mapping between infinitely periodic systems. Lastly, an emerging description of disordered and glassy systems as statistical ensembles of small-cell, periodic local minima on the potential energy surface will be discussed. This approach enables predictive modeling of atomic disorder and glasses without the need for experimental inputs. In all of these areas our recent developments offer predictions of relevant properties, which, in turn, allow for more rational and reliable searches for useful metastable materials.
Stevanović is a theoretical physicist working in computational materials science. Currently he is an Associate Professor in the Department of Metallurgy and Materials Engineering at Colorado School of Mines, with joint appointment at the National Renewable Energy Laboratory (NREL). Vladan’s research stands at the intersection between applied solid-state physics, material science, large-scale computations and big data. Motivated by renewable energy applications (photovoltaic, thermoelectric, power electronics and other), his work combines development and use of computational methods to predictively model relevant properties of solids with the goal to facilitate discovery and design of novel functional materials. Before joining Colorado School of Mines, he spent two years as a postdoctoral researcher at NREL and obtained his degrees from École Polytechnique Fédérale de Lausanne (EPFL), Switzerland, and Faculty of Physics, University of Belgrade, Serbia.
September 20 2024
12:45 PM ET
Materials Science and Engineering
Can Unknown Materials Properties Be Accurately Predicted?, presented by Zi-Kui Liu, Penn State University
Wean Hall 7500
September 23 2024
1:00 PM ET
Materials Science and Engineering
Combat Hot Cracking in Additive Manufacturing, presented by Guannan Tang
2327 Wean Hall, Mehl Room
September 26 2024
9:30 AM ET
Materials Science and Engineering
Shear-induced Fiber Alignment in Synthetic and Biological Systems to Enhance 3D Anisotropic Properties Using FRESH 3D Printing, presented by Neeha Dev Arun
6142 Scott Hall
September 27 2024
12:45 PM ET
Materials Science and Engineering
"Unveiling the Future of Color Matching: PPG Digitization, Color Physics, and AI insights," presented by Chris Childs, PPG
Wean Hall 7500
October 4 2024
12:45 PM ET
Materials Science and Engineering
"Deconstructing Meritocracy: Unpacking Attacks on Diversity, Equity, and Inclusion," presented by John Herbert, Ohio State University
Wean Hall 7500
October 11 2024
12:45 PM ET
Materials Science and Engineering
Seminar presented by Zakaria Al Balushi, University of California, Berkley
Wean Hall 7500