Now showing items 3921-3930 of 4196
Tensor-Structured Techniques for Electronic Structure Calculations
(2022)
Electronic structure calculations have been one of the most successful scientific fields in the past 50 years. Density functional theory (DFT) with its nice balance between accuracy and efficiency has now become the standard ...
Strain Engineering of Perpendicular Magnetic Insulators for Magnetoelectronics
(2021)
Modern electronics industry has been focusing on the development of semiconductor-based hardware, with tremendous effort being invested in transistor scaling technology. While worldwide energy consumption is predicted to ...
Advancing Atomistic Modeling of Defects in Plastic Deformation of Metallic Crystalline Materials
(2020)
In crystalline metallic systems, plastic deformation originates from nucleation and evolution of crystal defects. There are two types of complexity that generate substantial obstacles for the simulations and understanding ...
Carbon Nanotube Alignment: Electromagnetic Field and Shear Force
(2019)
Carbon nanotube (CNT)/polymer composites are promising structural materials because of their excellent strength and stiffness. However, the reported data of their strengthening effect is highly scattered. This variability ...
Enabling Controlled Material Synthesis and Processing via Predictive Modeling and Simulation
(2023)
Computational models that can predict materials’ evolution under synthesis and processing conditions, along with complementary experimental characterizations, are powerful tools that provide insights into the process designs ...
Surface Phase Stability and Surfactant Behavior on InAsSb
(2017)
InAsSb and related III-As/III-Sb heterostructures are of technological interest for applications in long wavelength infrared optoelectronic devices. However, there remain challenges to growing high quality material for ...
Visualization and Analysis of Nanoscale Microstructure Evolution of In situ Metal Matrix Composites
(2022)
Creating new, light-weight materials is a critical engineering problem required to meet the ever-increasing demands for improved fuel economy and electric vehicle range in the automotive, aerospace, and defense industries. ...
Influence of Electrode Formulation in Silicon Microparticle Electrodes for Lithium-Ion Batteries
(2023)
Commercialization of silicon anodes could be a critical step towards increasing electric vehicle adoption among consumers. Silicon has the potential for three times the volumetric capacity, ten times the gravimetric ...
Formation, Structure, and Properties of InAs/GaAs Quantum Dots.
(2015)
Semiconductor quantum dots (QDs) have shown significant promise for a wide range of optoelectronic devices, including solar cells, photodetectors, and lasers. Typically, QDs are fabricated by the misfit-driven Stranski-Krastanov ...
Rational Design of Electrode Architectures for Improved Performance of Li-metal and Li-ion Batteries
(2021)
Vehicle electrification can have a significant impact on reducing greenhouse gas emissions and enabling increased use of renewable energy sources. To realize widespread adoption of electrified powertrains, a breakthrough ...