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                        當前位置:悠悠千古事 > 歷史疑云 > 未來納米材料:進化與計算的結晶

                        未來納米材料:進化與計算的結晶

                        發布時間:2018-07-09  來源:悠悠千古事 點擊次數:

                        納米

                          最近,哥倫比亞大學化學工程系與布魯克海文國家實驗室(BNL)科學家合作,開發出一種新的設計方 法:把帶有單鏈DNA(ssDNA)接頭的膠體通過互補堿基對的結合,自行拼接組裝在一起,這種DNA雜交 會形成有序的膠體晶體,以此可以得到想要的納米結構材料。

                        將設計框架反過來

                          將設計框架反過來

                          “DNA拼接納米粒子的設計很有挑戰性,因為許多實驗參數在自組裝中起著關鍵作用。”哥倫比亞大學 溫卡特·溫卡塔薩布拉曼尼亞教授說,“參數空間會變得很大,有很多局部極小值限制,要用嘗試法找 到參數空間是非常困難的。”遺傳算法(GA)則是逆向設計框架,模仿了自然選擇的過程,能更系統地 搜尋參數空間,使設計過程更有效率。

                        將設計框架反過來

                          另一挑戰是可靠的推演模型。研究人員從模擬時間、DNA屬性、斥力作用和熵限制等多方面考慮,選擇 了更簡單的互補接觸模型(CCM),并在模型中加入了新參數,如熵貢獻和斥力作用,以使它更完善適 用。“CCM在捕捉實驗觀察主體方面非常成功,能很快算出有效的GA耦合,并在幾分鐘內對所要求的設 計參數做出預測。”溫卡塔薩布拉曼尼亞說,“膠體大小比例、每個納米粒子中的DNA接頭的數量、想 要的晶體結構等,讓設計問題變得極為復雜。這些問題很難通過傳統途徑,如嘗試、啟發、數學規劃等 方法來解決。”

                         
                         
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