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npj Computational Materials 2020年第1期6卷 705-713页

作者： Elaheh Ghorbani Daniel Barragan-Yani Karsten albe Fachgebiet Materialmodellierung Institut für MaterialwissenschaftTU DarmstadtOtto-Berndt-Straße 3D-64287 DarmstadtGermany Physics and Materials Science Research Unit University of LuxembourgL-1511 LuxembourgLuxembourg

Creation of a partially filled intermediate band in a photovoltaic absorber material is an appealing concept for increasing the quantum efficiency of solar ***,we showed that formation of a partially filled intermediate band through doping a host semiconductor with a transition metal dopant is hindered by the strongly correlated nature of d-electrons and the antecedent Jahn–Teller distortion,as we have previously *** present work,we take a step forward and study the delocalization of a filled(valence-like)intermediate band throughout the lattice:a case study of Ti-and Nb-doped In_(2)S_(3).By means of hybrid density functional calculations,we present extensive analysis on structural properties and interactions leading to electronic characteristics of Ti-and Nb-doped In_(2)S_(3).

关键词： absorber filled intermediate

A machine-learned interatomic potential for silica and its relation to empirical models

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npj Computational Materials 2022年第1期8卷 822-833页

作者： Linus C.Erhard Jochen Rohrer Karsten albe Volker L.Deringer Institute of Materials Science Technische Universität DarmstadtOtto-Berndt-Strasse 364287DarmstadtGermany Department of Chemistry Inorganic Chemistry LaboratoryUniversity of OxfordOxfordOX13QRUK

Silica(SiO_(2))is an abundant material with a wide range of *** much progress,the atomistic modelling of the different forms of silica has remained a *** we show that by combining density-functional theory at the SCAN functional level with machine-learning-based interatomic potential fitting,a range of condensed phases of silica can be accurately *** present a Gaussian approximation potential model that achieves high accuracy for the thermodynamic properties of the crystalline phases,and we compare its performance(and performance–cost trade-off)with that of multiple empirically fitted interatomic potentials for *** also include amorphous phases,assessing the ability of the potentials to describe structures of melt-quenched glassy silica,their energetic stability,and the high-pressure structural transition to a mainly sixfold-coordinated *** suggest that rather than standing on their own,machine-learned potentials for silica may be used in conjunction with suitable empirical models,each having a distinct role and complementing the other,by combining the advantages of the long simulation times afforded by empirical potentials and the near-quantum-mechanical accuracy of machine-learned *** way,our work is expected to advance atomistic simulations of this key material and to benefit further computational studies in the field.

关键词： potential empirical relation

Tailoring magnetic hysteresis of additive manufactured Fe-Ni permalloy via multiphysics-multiscale simulations of process-property relationships

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npj Computational Materials 2023年第1期9卷 1297-1315页

作者： Yangyiwei Yang Timileyin David Oyedeji Xiandong Zhou Karsten albe Bai-Xiang Xu Mechanics of Functional Materials Division Institute of Materials ScienceTechnische Universität DarmstadtDarmstadt 64287Germany Failure Mechanics and Engineering Disaster Prevention Key Laboratory of Sichuan Province College of Architecture and EnvironmentSichuan UniversityChengdu 610207China Materials Modelling Division Institute of Materials ScienceTechnische Universität DarmstadtDarmstadt 64287Germany

Designing the microstructure of Fe-Ni permalloy produced by additive manufacturing(AM)opens new avenues to tailor its magnetic ***,AM-produced parts suffer from spatially inhomogeneous thermal-mechanical and magnetic responses,which are less investigated in terms of process modeling and *** present a powder-resolved multiphysics-multiscale simulation scheme for describing magnetic hysteresis in AM-produced material,explicitly considering the coupled thermal-structural evolution with associated thermo-elasto-plastic behaviors and chemical order-disorder *** residual stress is identified as the key thread in connecting the physical processes and phenomena across *** employing this scheme,we investigate the dependence of the fusion zone size,the residual stress and plastic strain,and the magnetic hysteresis of AM-produced Fe_(21.5)Ni_(78.5) on beam power and scan *** results also suggest a phenomenological relation between magnetic coercivity and average residual stress,which can guide the magnetic hysteresis design of soft magnetic materials by choosing appropriate processing parameters.

关键词： alloy microstructure hysteresis

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棒材和线材的控温轧制

国外钢铁 1989年第8期14卷 38-44页

作者： albe.,M 顾根香

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SCA接收机解调附加的副载波

电子产品世界 1997年第3期4卷 85-85,86页

作者： albe.,DL

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乳腺癌的淋巴示踪与前哨淋巴结活检

美国医学会杂志（中文版） 1997年第6期16卷 304-307页

作者： albe.,JJ

目的-确定浸润性乳腺癌患者的前哨淋巴结(SLN)(区域淋巴组织中最先引流原发癌的淋巴结),检验前哨淋巴结可反映腋淋巴结组织学特点的假设。设计－前瞻性试验。对象-62例新诊断的浸润女性乳腺癌患者。干预-术中应用活性蓝色染料和过滤的... 详细信息

目的-确定浸润性乳腺癌患者的前哨淋巴结(SLN)(区域淋巴组织中最先引流原发癌的淋巴结),检验前哨淋巴结可反映腋淋巴结组织学特点的假设。设计－前瞻性试验。对象-62例新诊断的浸润女性乳腺癌患者。干预-术中应用活性蓝色染料和过滤的标记锝元素的胶态硫作淋巴示踪,确认并切除前哨淋巴结。随后行乳腺癌手术,包括完全的腋淋巴结切除术。主要观察指标-明确未触及淋巴结病例的腋窝转移性淋巴结的分布。结果-应用上述两种示踪方法,62例中有57例(92%)成功确定前哨淋巴结(SLN)。定位后,18例(32%)发现转移者SL N检验均为阳性,无“跳跃”转移(即SLN阴性但较高的淋巴结阳性)。18例中,有12例(67%)SLN是唯一的转移部位。腋淋巴的转移与SLN受累不一致的情况甚为少见(P<0.001)。结论-研究证实对乳腺癌病例,淋巴示踪是可行的,前哨淋巴结可反映其余腋淋巴结的组织学特点。此法可使病理科医生专注于1-2个淋巴结的病理检查,有可能提高淋巴结的阳性切除率及分期准确性。

关键词：乳腺肿瘤前哨淋巴结淋巴结活组织检查

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玻姆的量子力学替代理论

科学（中文版） 1994年第9期 20-26页

作者： albe.,DZ 周忠行

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美国海军生物污损研究的历程及目标

南海研究与开发 2000年第1期 70-73页

作者： albe.,RS 李静

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泌尿外科

美国医学会杂志（中文版） 1996年第6期15卷 311-312页

作者： albe.,PC 顾方六

前列腺特异抗原试验使偶然发现的前列腺癌病例数增加,但保健政策的专家们不能肯定PSA筛选能否提高其生存率。─前列腺特异抗原试验具有高度的特异性和敏感性,但是测定血清PSA的游离物和复合物仍可使试验得到改进。

关键词：泌尿外科前列腺肿瘤抗原

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油脂脱胶新法

日用化学工业译丛 1991年第1期 21-29页

作者： albe.,JD 刘建栋

食用油精炼过程中很重要的但又过分强调的一点就是其中磷脂的脱除。一些磷脂可用水法脱胶除去,但残余的被Guillaumin等称为'非水合磷脂'则要用化学脱胶法脱除。这种化学脱胶过程的效果常用脱胶后油中残留磷ppm含量来评价,通常就作为表... 详细信息

食用油精炼过程中很重要的但又过分强调的一点就是其中磷脂的脱除。一些磷脂可用水法脱胶除去,但残余的被Guillaumin等称为'非水合磷脂'则要用化学脱胶法脱除。这种化学脱胶过程的效果常用脱胶后油中残留磷ppm含量来评价,通常就作为表征油的质量的重要指标,也是评价贮存稳定性和对物理精炼适应性的重要指标。 Smouse在其'豆油返味综述'一文中,列举了许多豆油返味的影响因素,但未指出哪一个是主要原因。Grothues则明确地指出'优质油要求全部除去磷脂。

关键词：油脂脱胶