Engineering topics

Huang, Yuhui

Publications and source records attributed to Huang, Yuhui.

4 records

DOE OSTI2022

Optimizing Piezoelectric Nanocomposites by High‐Throughput Phase‐Field Simulation and Machine Learning

Abstract Piezoelectric nanocomposites with oxide fillers in a polymer matrix combine the merit of high piezoelectric response of the oxides and flexibility as well as biocompatibility of the polymers. Understanding the role of the choice of materials and the filler‐matrix architecture is critical to achieving desired functionality of a composite towards applications in flexible electronics and energy harvest devices. Herein, a high‐throughput phase‐field simulation is conducted to systematically reveal the influence of morphology and spatial orientation of an oxide filler on the piezoelectric, mechanical, and dielectric properties of the piezoelectric nanocomposites. It is discovered that with a constant filler volume fraction, a composite composed of vertical pillars exhibits superior piezoelectric response and electromechanical coupling coefficient as compared to the other geometric configurations. An analytical regression is established from a linear regression‐based machine learning model, which can be employed to predict the performance of nanocomposites filled with oxides with a given set of piezoelectric coefficient, dielectric permittivity, and stiffness. This work not only sheds light on the fundamental mechanism of piezoelectric nanocomposites, but also offers a promising material design strategy for developing high‐performance polymer/inorganic oxide composite‐based wearable electronics.

42 ENGINEERING↗

DOE OSTI2020

High-throughput phase-field simulations and machine learning of resistive switching in resistive random-access memory

Metal oxide-based Resistive Random-Access Memory (RRAM) exhibits multiple resistance states, arising from the activation/deactivation of a conductive filament (CF) inside a switching layer. Understanding CF formation kinetics is critical to achieving optimal functionality of RRAM. Here a phase-field model is developed, based on materials properties determined by ab initio calculations, to investigate the role of electrical bias, heat transport and defect-induced Vegard strain in the resistive switching behavior, using MO 2- x systems such as HfO 2- x as a prototypical model system. It successfully captures the CF formation and resultant bipolar resistive switching characteristics. High-throughput simulations are performed for RRAMs with different material parameters to establish a dataset, based on which a compressed-sensing machine learning is conducted to derive interpretable analytical models for device performance (current on/off ratio and switching time) metrics in terms of key material parameters (electrical and thermal conductivities, Vegard strain coefficients). These analytical models reveal that optimal performance (i.e., high current on/off ratio and low switching time) can be achieved in materials with a low Lorenz number, a fundamental material constant. This work provides a fundamental understanding to the resistive switching in RRAM and demonstrates a computational data-driven methodology of materials selection for improved RRAM performance, which can also be applied to other electro-thermo-mechanical systems.

36 MATERIALS SCIENCE↗

NASA NTRS1993

Radiation and collisional energy transfer among the A 2Pi(i) and X 2Sigma(+) states of CN

Laser-photolysis-laser-induced-fluorescence methods are used to characterize the collisional energy transfer between CN (A 2Pi(i) and (X 2Sigma(+)) states and to measure radiative lifetimes of the (A 2Pi(i)) v-prime = 2-7 vibrational levels. In addition, use of the A 2Pi(i) - X 2Sigma(+) system for the laser-induced-fluorescence determination of (X 2Sig(+)) populations is demonstrated and discussed.

Huang, Yuhui↗

NASA NTRS1992

Radiative lifetimes of the CN (A 2 Pi i) electronic state

Radiative lifetimes have been measured for CN (A 2 Pi i v-prime = 2...7). Ground-state radicals formed in the 193 nm photolysis of C2N2 and ClCN were excited to A 2 Pi i v-prime = 2...7 vibrational levels. The decay was monitored by following the fluorescence. Cascading effects were eliminated by working at low pressures and monitoring emission from a single vibrational band. Quenching rates and zero-pressure radiative lifetimes were obtained from Stern-Volmer plots. The lifetimes are significantly lower than previous measurements and theoretical calculations for vibrational states v-prime over 2.

Lu, Richang↗