1794-AENTR產(chǎn)品
1794-AENTR軟磁鐵基非晶合金具有強(qiáng)度高、軟磁性能優(yōu)異、耐蝕性強(qiáng)等優(yōu)點(diǎn)。80年代研究人員成功開發(fā)出的Fe-Co-P-B和Fe-Co-Si-B己經(jīng)被用作軟磁材料,其商業(yè)名稱為METGLAS。1988年,研究者開發(fā)出Fe-Si-B-Cu-Nb(FINEMET)納米晶合金,又顯著地提高了其軟磁性能。此后幾十年盡管研究人員研發(fā)了大量的新型合金成分,但目前產(chǎn)業(yè)化應(yīng)用的合金主要仍是上世紀(jì)八十年代開發(fā)的METGLAS和FINEMET。這從側(cè)面說明目前的大部分新型合金成分的綜合性能如非晶形成能力、飽和磁感應(yīng)強(qiáng)度、矯頑力、磁導(dǎo)率和熱穩(wěn)定性等仍然難以滿足服役要求。一方面,目前缺乏可以定量描述鐵基非晶合金成分與性能之間關(guān)系的準(zhǔn)則;另一方面,迄今為止,鐵基非晶合金的成分設(shè)計主要依賴傳統(tǒng)的實(shí)驗試錯方法,這一研發(fā)過程復(fù)雜、效率低下、周期漫長且成本較高昂,成為快速、準(zhǔn)確設(shè)計鐵基非晶合金亟需突破的技術(shù)難題。
隨著人工智能技術(shù)的進(jìn)步,機(jī)器學(xué)習(xí)(MachineLearning)方法在數(shù)據(jù)挖掘領(lǐng)域獲得了長足的發(fā)展。在材料科學(xué)領(lǐng)域,機(jī)器學(xué)習(xí)已逐步應(yīng)用于材料建模來更準(zhǔn)確地預(yù)測材料特性。這些方法為解決材料的成分優(yōu)化、處理工藝設(shè)計和性能研究等提供了科學(xué)有效的先進(jìn)手段。然而,目前大多數(shù)機(jī)器學(xué)習(xí)算法都存在“黑匣子”問題,很難建立可定量描述鐵基非晶合金成分與性能關(guān)系的合金設(shè)計模型。因此,提高機(jī)器學(xué)習(xí)模型的可解釋性和透明度,將有助于模型的除錯、引導(dǎo)未來的數(shù)據(jù)收集方向、為特征構(gòu)建和性能預(yù)測提供真正可靠的信息,最終建立合金本征特性與性能之間的定量關(guān)系。
圖1.XGBoost機(jī)器學(xué)習(xí)算法實(shí)現(xiàn)輸入特征評分來自北京科技大學(xué)新金屬材料國家重點(diǎn)實(shí)驗室和北京材料基因工程高精尖創(chuàng)新中心的呂昭平教授和劉雄軍教授團(tuán)隊提出了一種利用可解釋性的XGBoost機(jī)器學(xué)習(xí)算法輔助設(shè)計高熱穩(wěn)定性和高飽和磁感應(yīng)強(qiáng)度軟磁鐵基非晶合金的方法,同時深入挖掘重要特征背后的物理意義并建立了具有高準(zhǔn)確度的性能預(yù)測準(zhǔn)則,為新型軟磁鐵基非晶合金的研發(fā)提供了新思路,可顯著提高合金研發(fā)效率、降低研發(fā)成本。
圖2.ML預(yù)測的實(shí)驗驗證。基于XGBoost算法,該工作具體包括:1)建立鐵基非晶合金數(shù)據(jù)集;2)數(shù)據(jù)集預(yù)處理,輸入?yún)?shù)“指紋化”,將N組樣本中,每組數(shù)據(jù)的合金成分比例信息和計算的原子尺寸差等本征屬性作為輸入特征,飽和磁感應(yīng)強(qiáng)度和初始晶化溫度作為輸出變量;3)建立機(jī)器學(xué)習(xí)預(yù)測模型,進(jìn)行重要特征提取,結(jié)合提取的重要特征,進(jìn)一步推導(dǎo)出具有物理意義的軟磁性能和熱穩(wěn)定性與重要特征之間的關(guān)系,進(jìn)而實(shí)現(xiàn)基于物理冶金學(xué)理論的特征降維,獲得可解釋性的量化預(yù)測準(zhǔn)則;4)合金設(shè)計準(zhǔn)則的實(shí)驗驗證,通過測量制備的不同軟磁鐵基非晶合金的飽和磁感應(yīng)強(qiáng)度(Bs)和晶化溫度(Tx),并與機(jī)器學(xué)習(xí)準(zhǔn)則對比。作者發(fā)現(xiàn),Bs和Tx預(yù)測誤差分別低于10%和5%,從而驗證了XGBoost機(jī)器學(xué)習(xí)模型的可靠性和合理性。作者們基于現(xiàn)有鐵基非晶合金軟磁性能和熱穩(wěn)定性的實(shí)驗數(shù)據(jù),利用機(jī)器學(xué)習(xí)模型可同時預(yù)測未知鐵基軟磁非晶合金的飽和磁感應(yīng)強(qiáng)度(Bs)和初始晶化溫度(Tx),具有工作量小、可解釋性強(qiáng)、精度高、可靠性高、可操作性強(qiáng)等優(yōu)點(diǎn),有望應(yīng)用于設(shè)計不同體系軟磁鐵基非晶合金。
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