초록 ▼

자가치유 센테니얼 합금 개발을 위한 Design Rule 확보 및 금속상의 준정적 가역 상변화를 통한 자가치유 메커니즘의 실효성 검증 및 후보 소재군 설정
∎ Machine learning 연계 멀티스케일 시뮬레이션 기법 개발:
- Artificial neural network (NNs) 및 MEAM 모델에 기반한 다원계 합금 interatomic potential 개발, interatomic potential로부터 예측된 특성 계산값 오차 최소 0.2% 수준까지 확보, 원자단위~마이크로단위 시뮬레이션을 통한 가역 상변화

자가치유 센테니얼 합금 개발을 위한 Design Rule 확보 및 금속상의 준정적 가역 상변화를 통한 자가치유 메커니즘의 실효성 검증 및 후보 소재군 설정
∎ Machine learning 연계 멀티스케일 시뮬레이션 기법 개발:
- Artificial neural network (NNs) 및 MEAM 모델에 기반한 다원계 합금 interatomic potential 개발, interatomic potential로부터 예측된 특성 계산값 오차 최소 0.2% 수준까지 확보, 원자단위~마이크로단위 시뮬레이션을 통한 가역 상변화 특성 예측
∎ 멀티스케일 모델 예측을 통해 도출한 후보군 합금의 제조 및 실험적 검증
- 초내열 합금에서 Boron 첨가에 의한 고온 환경에서의 자가치유 효과 검증 : 고온 환경에서 크랙부에 boride 집중 형성을 통한 크랙의 자가치유 효과 구현 가능 확인
- 일일 생활권 확장형 고효율 경량 수송 자가치유금속 소재: 제2상의 초탄성 효과로부터 결함 전파가 지연될 수 있는 경량 고내구성 소재 구현
- NiCoCr 합금에서 다중변형기구 구현을 통한 우수한 저온 파괴인성을 가진 합금 조성 도출: 조성 제어에 의해 구현된 다단 변형메커니즘으로부터 온도 항상성 구현
- Multi-ladle & tundish를 이용한 combinatorial strip casting 장치 고안 및 특허 출원, 연속 조성 구배 부여로부터 조성 제어 정밀도를 극대화하고 고속 제조 가능.
∎ Single-pass high-throughput (특성)-(미세구조) 분석 기법 구축
- 전자현미경 및 중성자빔 조사 시설을 이용하여 1) 미세구조분석, 2) 기계적 특성 수치 분석, 3) 온도 제어가 가능한 single-pass 분석 기법 개발 및 특허 출원
→ 선기획 연구 결과로부터 소프트웨어 저작권 3건 등록 및 원천 특허 8건 출원

(출처 : 보고서 요약서 3p)

Abstract ▼

Ⅳ. Major results of the preliminary research

1. Development of machine learning-based multi-scale simulation technique

a. Development of interatomic potential based on machine learning for atomic scale simulation
- Development of interatomic potential of V-Ni-Ti alloy based on artif

Ⅳ. Major results of the preliminary research

1. Development of machine learning-based multi-scale simulation technique

a. Development of interatomic potential based on machine learning for atomic scale simulation
- Development of interatomic potential of V-Ni-Ti alloy based on artificial neural network (NNs) and MEAM model
- Development of interatomic potential for predicting laminated defect energy in multi-component alloy system
- Calculated characteristic value predicted from the developed interatomic potential, ensuring a minimum error of 0.2 %, predictable reversible phase change characteristics through atomic unit to micro-unit simulation

b. Development of multi-scale simulation technique for designing ‘hightemperature self-healing metallic materials’
- Alloy design of high-temperature self-healing alloys through computational thermodynamics
- Exploring the possibility of concentrating and precipitating the solute element around the crack tip by atomic computer simulation
- Monte Carlo simulation for solute distribution prediction around crack tip and first principles calculation for precipitation prediction of solute elements

c. Development of a multi-scale simulation technique for designing 'Lightweight tough self-healing metallic materials'
- Prediction of martensitic transformation of NiTi Particles in V-metallic Phase by atomic scale simulation
- Analysis of deformation behavior of NiTi-based composite using 3-D microstructure and finite element analysis

d. Development of multi-scale simulation technique for designing 'self-healing metallic material for cryogenic temperature'
- Construction of Stacking fault energy (SFE) database through machine learning– based simulation
- Computation of stacking fault energy using atomic scale simulation

2. Experimental validation of candidate alloys for self-healing metallic materials

a. Self-healing metallic materials for extremely high temperature applications
- Prediction of equilibrium phases through thermodynamic calculation and microstructure analysis of 617B superalloy containing boron
- Verification of self-healing effect in high temperature environment by boron: It is confirmed that self-healing effect of crack can be realized by forming concentrated boride in crack part in high temperature environment
- Evaluation of creep deformation behavior of 617B superalloy by high temperature creep test: creep resistance at 200 MPa for over 500 hr at 1023 K for boron-added 617B superalloy

b. Light-weight and tough self-healing metallic materials for highly efficient vehicles
- Design and fabrication of metallic composite with NiTi superelastic dispersions in (V, Nb) metal matrix
- Fabrication of Nb-NiTi composite alloys with NiTi superelastic phases dispersed: The superelastic effect of the secondary phases results in delayed propagation of defects, resulting in strength ≥ 500 MPa, density ≈ 6.920 cm³g^-1, fracture strain ≈ 0.45, leading to a lightweight, high-durability metallic composite with (Specific strength×fracture strain) ≥ 32 MPa·cm³g^-1

c. Self-healing metallic materials for cryogenic applications
- Prediction of multi-deformation mechanisms in NiCoCr ternary alloys using stacking fault energy calculated from computational thermodynamics
- Validation of alloys with excellent low-temperature fracture toughness through implementation of multi-deformation mechanisms in NiCoCr alloys: Toughness consistence against temperature with KQ,25℃/KQ,-100℃≥95 % from multi-stage strain mechanism implemented by composition control

d. Development of rapid prototyping technique for efficient investigation of optimized alloy composition having self-healing effects
- Design of combinatorial strip casting device using multi-ladle & tundish (patented), which can fabricate samples at high speed by maximizing composition control accuracy from continuous compositional gradient.
- Development of rapid alloy casting technique by automated arc melting-tilt casting equipment

3. Development of Single-pass high-throughput analysis technique
- Development (and application of patents) of single-pass analysis technique capable of simultaneous 1) Microstructure analysis, 2) Numerical analysis of mechanical properties, 3) temperature control using electron microscope and neutron beam irradiation facility

a. Design of in-situ heating-tensile straining sample stage device for TEM observation
- In-situ testing with simultaneous (Temperature control)-(stress loading)-(observation of crack and microstructure)

b. Development of MEMS-based microscale mechanical testing device in electron microscope
- Development of MEMS-based device capable of quantitatively analyzing fracture behavior and propagation / healing process of material, responding appropriately to mechanical instability of nano- and micron-sized micro-samples

b. Development of high-throughput rapid analysis instrument for (Enthalpy of phase transformation)-(Stress sensitivity) relations using infrared camera
- Enabling the simultaneous analysis of (Enthalpy of phase transformation)-(Stress sensitivity) relations for multiple alloy samples in a single measurement

c. Construction of in-situ single-pass analyzer in neutron beam-based measurements
- Development of measurement method and sample environment device for small angle scattering, for nano-particle analysis in self-healing metallic materials
- Development of stress-modified diffraction measurement method and sample environment device
- Development of neutron scattering imaging technique for observation of phase transformation and crack analysis

(출처 : SUMMARY 10p)

목차 Contents

• 표지 ... 1
• 제 출 문 ... 2
• 보고서 요약서 ... 3
• 요 약 문 ... 4
• SUMMARY ... 8
• CONTENTS ... 14
• 목차 ... 15
• 제 1 장 先기획연구 개요 ... 16
• 제 1 절. 先기획연구의 목적, 필요성 및 범위 ... 16
• 제 2 절. 대상 소재기술의 정의 및 개념 ... 18
• 제 2 장 기술개발 현황 및 조사․분석 ... 22
• 제 1 절. 국내․외 기술개발 현황 ... 22
• 제 2 절. 선행 연구 조사․분석 및 시사점 ... 27
• 제 3 장 기술개발 목표 및 내용 ... 31
• 제 1 절. 원천특허 포트폴리오 ... 31
• 제 2 절. 연구개발내용 및 범위 ... 40
• 제 3 절. 기존 기술과의 차별성 및 원천성 ... 42
• 제 4 절. 국가 소재 R&D 전략과의 연계성 및 부합성 ... 44
• 제 5 절. 先연구내용 및 결과 ... 46
• 제 4 장 先기획연구 활동 추진 내용 ... 135
• 제 1 절. 先기획연구 추진 체계 ... 135
• 제 2 절. 先기획연구 방법론 ... 137
• 제 3 절. 先기획연구 활동 내용 ... 138
• 제 5 장 기대성과 및 활용 계획 ... 141
• 제 1 절. 기대성과 ... 141
• 제 2 절. 상용화 예상 분야 ... 142
• 제 3 절. 경제성 분석 ... 146
• 제 6 장 참고문헌 ... 150
• 끝페이지 ... 152