(396b) Capturing the Unmeasurable: How Atomistic Simulations Are Bringing Understanding to Interfacial Phenomena

Most materials development at some point must consider an interface. Between adhesives and component parts, between matrix and filler in composite materials, and between atomic layers during assembly, the interface impacts the overall performance of the product. But these surfaces can be difficult to probe experimentally. Atomistic level modeling and simulation techniques such as quantum mechanics and molecular dynamics allows a window into the specific interactions that accumulate into the observed interfacial behavior. As simulation techniques and compute power has grown, we are now better able to explore how interfaces behave. However, there are still challenges remaining such as accounting for reactions at complex, multicomponent interfaces. From battery solid electrolyte interphases to dissolving polymers at tablet interfaces, simulations must capture discrete interactions that are important to the interface in order to be useful. This talk will review examples from various industries in how simulation of interfaces has developed and the role of technology exploration in Dr. Browning’s career evolution.