국내 최대 기계 및 로봇 연구정보

기술보고서

기술보고서 게시판 내용
타이틀	Computer Code for Nanostructure Simulation
저자	Filikhin, Igor;; Vlahovic, Branislav
Keyword	NANOSTRUCTURES (DEVICES); COMPUTER PROGRAMS;; TEMPERATURE GRADIENTS;; PHOTOVOLTAIC CONVERSION;; ENERGY LEVELS;; DEBONDING (MATERIALS); CHARGE TRANSFER;; HEAT TRANSMISSION;; THERMODYNAMIC PROPERTIES;; TRANSPORT PROPERTIES;; PLASTIC DEFORMATION;;
URL	http://hdl.handle.net/2060/20090032139
보고서번호	LEW-18414-1
발행년도	2009
출처	NTRS (NASA Technical Report Server)
ABSTRACT	Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.