多年來致力於此的研究方向相當多元，我們藉由分子模擬技術研究不同環境參數下的機械性質(楊氏係數、彈性模數、材料最大強度)及材料特性等，除了可測觀察出材料的特性及各種不同物理行為機制，並可觀察實驗上所無法檢測的資訊，例如原子的局部應力、應變、熱集中、瞬時間的原子結構錯位滑移與成核、及表面原子擴散自組裝。 ─異質接合奈米管之機械性質分析 (分子動力學結合基因演算法) (相關研究著有SCI論文2篇)
使用分子動力學結合基因演算法，有別於傳統能量最低原理，找出異質接合奈米管之最穩定態結構，並藉由分析基因演算法所產生的不同異質接合奈米管，找到stone-wale 五及七環狀缺陷之向與數量對於奈米管之力學與破壞行為之影響，發現7-7環接合之方向性對於奈米管有重大之影響。  Publication : 1. Wen-Jay Lee, An-Cheng Yang, Yeng-Tseng Wang and Wan-Sheng Su, Cai-Zhuang Wang and Kai-Ming Ho, (2013, Oct). Orientation effect of topological defects on the mechanical properties of carbon nanotube heterojunctions . Journal of applied physics, 114, 144306. (SCI, N/M=31/127 PHYSICS, APPLIED). NSC 102-2218-E-492-002. 2. Wen-Jay Lee, Wan-Sheng Su, (2013, May). Investigation into the mechanical properties of single-walled carbon nanotube heterojunctions. Physical chemistry chemical physics, 15, 11579. (SCI, N/M=31/134 CHEMISTRY, PHYSICAL, N/M=6/34 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL). NSC 102-2218-E-492-002. ─ 一維奈米線機械性質分析 (微觀力學與結構相變) (相關研究著有SCI論文4篇) 多年來致力於此的研究方向相當多元，例如金屬(螺旋金奈米線、不同排列平面之FCC 金奈米線)與半導體奈米線(SiO2, TiO2, ZnO2)的奈米線機械與材料性質等研究，成果發現對於極細奈米線(d<2nm)在受力變形後容易產生結構相變，例如在ZnO2奈米管的研究上，發現當amchair結構會受到外力變形，其結構可轉變成zigzag結構，變成amchair與zigzag共存之奈米線結構，本研究也受美國科學媒體vertical news所報導，研究成果備受矚目。  Publication : 1. Wen-Jay Lee, Shin-Pon Ju, Ken-Huang Lin, Kuan-Fu Lin (2014, Jan). Mechanical and structural Properties of Helical and non-Helical Silica. Computational Materials Science, 82, 165-171. (SCI, N/M=72/241, MATERIALS SCIENCE, MULTIDISCIPLINARY). NSC 98-2221-E-110-022-MY3. 2. Wen-Jay Lee, Jee-Gong Chang, Shin-Pon Ju, Meng-Hsiung Weng and Chia-Hung Lee (2011, Nov). Structure-dependent mechanical properties of ultrathin zinc oxide nanowires. Nanoscale Research Letters , 6期，P.352 . (SCI, 44/232, MATERIALS SCIENCE, MULTIDISCIPLINARY; 23/125, PHYSICS, APPLIED; 29/66, NANOSCIENCE & NANOTECHNOLOGY). 3. Wen-Jay Lee, Jee-Gong Chang, Shin-Pon Ju, and Chia-Hung Lee (2011, Nov). Mechanism of local stress release in armchair single-wall Zinc Oxide nanotube under tensile loading. Journal of nanoparticle research , 13期，P.4749. (SCI, 38/232, MATERIALS SCIENCE, MULTIDISCIPLINARY; 36/154, CHEMISTRY, MULTIDISCIPLINARY; 24/66,NANOSCIENCE & NANOTECHNOLOGY). 4. Yeng-Tseng Wang, Wen-Jay Lee, Zhi-Yuan Su, Cheng-Lung Chen (2011, Nov). Carbon-nanotube-based artificial peptide channel: Transportation of small, peptide under external electric field force. Journal of the Taiwan Institute of Chemical Engineers, 42期，P.724. (SCI, 34/133, ENGINEERING, CHEMICAL). 5. Hui-Lung Chen, Shin-Pon Ju, Jenn-Sen Lin, Jijun Zhao, Hsin-Tsung Chen, Jee-Gong Chang, Meng-Hsiung Weng, Shin-Chin Lee, Wen-Jay Lee (2010, Nov). Electronic property of a silicon carbide nanotube under uniaxial tensile strain: a density function theory study. Journal of Nanoparticle Research, 12期，P.2919. (SCI, 38/232, MATERIALS SCIENCE, MULTIDISCIPLINARY; 36/154, CHEMISTRY, MULTIDISCIPLINARY; 24/66,NANOSCIENCE & NANOTECHNOLOGY). ─多層複合材料之界面硬度分析 研究成果包含分析PMMA/Au基板與C84單層/Si界面之結構與力學特徵，在PMMA/Au基板研究上，本研究利用金探針直接刺穿PMMA膜，使探針與基板壓合產生金屬鍵結，達成焊接效果，從硬度曲線上發現，因為PMMA模與基板著高密度區，因此在室溫壓合過程應力會有明顯跳耀上升的情形，此外，藉由提針過程發現，金探針可達成冷焊效果，此結果提供了半導體封裝產業上打線製程連接與封裝上之想法。  |