Now showing items 21-30 of 47
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 ...
Origami and Kirigami Design Principles for Optical Tracking, Energy Harvesting, and Other Applications
(2017)
Origami and kirigami (the folding and cutting of paper, respectively, to achieve a desired shape) have been used in engineering to develop airbags, optical components, deployable spaceborne solar arrays, reprogrammable ...
Improved Synthesis and Material Processing of Black Phosphorus for Using as Lithium-ion Battery Anode
(2020)
Recent studies show that black phosphorus (BP) is a promising candidate anode material for Li-ion batteries (LIB), exhibiting much higher theoretical capacity (2,596 mAh/g) compared to commercialized graphite anode (372 ...
Modeling Reaction and Transport Effects in Stereolithographic 3D Printing
(2020)
Continuous stereolithography has recently emerged as a leading technology in additive manufacturing (3D printing). Though several methods for continuous printing have been reported, they all share the benefit of reducing ...
Computational Discovery of Solid Electrolytes for Batteries: Interfacial Phenomena and Ion Mobility
(2020)
Solid-state batteries (SSBs) using a solid electrolyte (SE) and Li-metal anode are promising technologies that can increase energy density and minimize safety concerns for applications such as electric vehicles. Although ...
The Effects of Temperature and Microstructure on Slip Localization in Microtextured Ti-6Al-2Sn-4Zr-2Mo under Dwell Fatigue
(2021)
Near-alpha titanium alloys, such as Ti-6242, experience a reduction in fatigue lifetime when the peak stress is held for each loading cycle. This type of sustained peak loading is known as dwell fatigue, and it mimics the ...
Large Scale Electronic Structure Studies on the Energetics of Dislocations in Al-Mg Materials System and Its Connection to Mesoscale Models
(2019)
Computational modeling of dislocation behavior is vital for designing new lightweight metallic alloys. However, extraordinary challenges are posed by the multiscale physics ranging over a vast span of interacting length-scales ...
First Principles Study of Magnesium/Oxygen Batteries and Glassy Solid Electrolytes
(2018)
A transition to electrified transportation would benefit from the development of batteries with energy densities beyond that of Li-ion batteries. New battery chemistries and materials are needed to realize this transition. ...
Multidisciplinary Study of Soft Shape Morphing Systems
(2021)
Nature abounds with examples of shape morphing systems where an entity either gradually grows into a complex 3-D shape pattern or rapidly morphs into a new configuration. Inspired by the shape shifting capabilities of ...
Numerical and Analytical Multiscale Modeling of High Cycle Fatigue in Advanced Materials
(2018)
Integrated Computational Materials Engineering (ICME) approaches are gaining popularity in various industries, such as electronics, automobile, and aerospace, due to their focus on multiscale simulation-based design and ...