나노기술에서 가시화의 중요성 이광렬, 이승철 미래기술본부 전산모사팀 2005년 8월 26일

What is Observation? 어떤 현상을 오감을 통해 인지하는 것. 재료과학 五感 (Sensing) : Natural Phenomena (physics) 認知 (Recognition) : Brain’s Job (human factor) 재료과학 재료과학=미세조직의 과학

Materials Science = Science of Microstructure Material Science Skill Science 김도근 외, KIST내부자료 대장간, 김홍도 Materials Science = Science of Microstructure

Advent of “Materials Science(Microstructure)” Optical Microscope Advent of “Materials Science(Microstructure)”

Electron Microscope Si3N4 1895 W. Roentgen(독일)이 X-ray 발견 1897 Sir J. J. Thomson(독일)이 Electron발견 1924 Louis de Broglie(프랑스)가 전자파동설 제안 1926 Hans Busch가 전자에 대한 자계의 렌즈작용 이론화 1931 Max Knoll & Ernst Ruska의 TEM 발명 (×17.4) 1933 대물렌즈에 pole piece적용 (12,000x) 1938 집속렌즈, 대물렌즈에 pole piece, 투사렌즈, 사진판, 시료방의 사전배기장치 (80,000x) 1954 2단 집속렌즈를 도입하여 시료에 대한 열영향 방지 (100,000x) Si3N4

Scanning Probe Microscope Si (111) Fe on Cu (111)

Again:What is Observation? Si (111) Si3N4 Are we observing real Nature?

Interatomic Potentials Atomistic Simulation New Tools for Nanotechnology i Time Evolution of Ri and vi Interatomic Potentials Empirical Approach First Principle Approach

Hierarchy of Computer Simulation Engineering Design min Continuum Models ms - FEM/FDM Mesoscale Monte Carlo Phase Field Theory TIME ms ns Atomic Level Simulation - Atomistic Monte Carlo - Classical MD ps Fundamental Models First Principle Calculation Quantum Monte Carlo fs 1A 10A 100A 1mm 1mm DISTANCE

Electronic Structure Schrödinger Eq.

Interatomic Potentials Atomic Scale Simulation i Time Evolution of Ri and vi Interatomic Potentials Empirical Approach First Principle Approach

Massive Parallel Computation C-plant @ Sandia National Lab. Beowulf Cluster @ CALTECH Avalon @ Los Alamos National Lab. Alpha Cluster @ SAIT

KIST Supercomputer: Grand 1024 Xeon CPUs, 3.0 Tera Flops

Moor’s Law in Atomistic Simulation Empirical MD Number of atoms has doubled every 19 months. 864 atoms in 1964 (A. Rahman) 6.44 billion atoms in ’2000 First Principle MD Number of atoms has doubled every 12 months. 8 atoms in 1985 (R. Car & M. Parrinello) 111,000 atoms in ’2000

Nanotechnology

Size Matters!: Nanotechnology Atomic Orbitals N=1 Molecules N=2 Clusters N=10 Q-Size Particles N=2,000 Semiconductor N>>2,000 hn Energy Conduction Band Valence Vacuum CdSe Nanoparticles Smaller Size

Scale Down: Nanotechnology 0.13 m 2~4nm 10 nm Kinetics based on continuum media hypothesis is not sufficient.

Nanoscience or Nanotechnology 현상을 원자∙분자 단위에서 규명하고 제어하여, 구성 원자 및 분자들을 적절히 분산 결합 시킴으로써 새로운 물성의 재료/소자를 창출하는 기술 Needs Atomic Scale Understandings on the Structure, the Kinetics and the Properties

Insufficient Experimental Tools

Synthesis & Manipulation Methodology of Nano-R&D Synthesis & Manipulation Modeling & Simulation Analysis & Characterization

Atomic Scale Simulation of Interfacial Intermixing during Low Temperature Deposition in Co-Al System

Controlling & Understanding Magnetic RAM (MRAM) 1 nm Properties of MRAM are largely depends on the Interface Structures of Metal/Metal or Metal/Insulator Controlling & Understanding The atomic behavior at the interface are fundamental to improve the performance of the nano-devices!

Thin Film Deposition Cobalt on Al(001) Substrate Aluminum on Co(001) Substrate Cobalt on Al(001) Substrate

Thin Film Deposition 3ML Al on Co(001) 3ML Co on Al(001) Cobalt Thin Film on Co (001) Surface 3ML Co on Al(001) Aluminum Thin Film on Co (001) Surface 3ML Al on Co(001)

Cobalt-Alumimum Thin Films 0.1  3.0 eV 0.1 eV Structure Evolution due to Ion Beam Incident Energy

Metal Cluster Deposition Co Cluster Only Displayed 1.0 eV Co Cluster on Al(001) Al Substrate Only Displayed

Amorphous Carbon Bond Coordination Potential Energy

Amorphous Carbon Simulation Thin Film Bond Coord. Kinetic Energy Stress

Nano TCAD 공정모사 소자구조 정의 소자 모사 using computer simulations to develop and optimize semiconductor processing technologies and devices 공정모델링 + 소자모델링 소자 특성

CMOS FET 원자 규모에서의 계면 구조 형성거동 계면 구조의 변화에 따른 소자 특성 변화 0.13 m 2~4nm

System Required 나노 CMOS FET 모사를 위한 차세대 TCAD의 prototype 구현 계면의 원자구조에 따른 소자특성 해석 10억 개 입자로 구성된 계의 거동을 해석하기 위한 대규모 MD/MC 전산모사 기술 10억 개 입자로 구성된 계의 거동을 관찰하기 위한 대규모 가시화 기술

Requirements for NT High computing power at low cost High performance visualization tools

Virtual Reality & Visualization

감사합니다.