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| 1 | 聚酯用新型二氧化钛催化剂显示文摘本文介绍了一种用于聚酯缩聚的、新型高性能催化剂“C 94”。它是碳 /硅混合氧化物 ,抗水解 ,无毒 ,对环境无害。这种催化剂适合所有生产PET的常规工艺。用这种新催化剂制取的PET在性能上与普通PET几乎一样 ,但若制备工业用丝 ,更具优势。C - 94制取的PET染色更快 ,温度更低 ,染料使用量更少 ,而且废水中不含有害成分。 | R.Thier-Grebe M.Rabe 李敏锋 | 2001 | 国际纺织导报2001，29，1： | 2 |
| 2 | 3D打印技术在功能性纺织品上应用时的耐久性和黏附力问题显示文摘3D打印是一项已建立的用于生产原型和实现单个产品的技术,这项技术也可用于纺织品功能化应用。除了应用其功能性之外,还可以将类似的3D结构应用在纺织品表面,称为'三维功能化'。而在纺织品中成功应用三维功能化的主要条件就是其耐久性。讨论了3D打印技术在纺织品基底表面黏附的主要参数。 | J.Bergschneider M.Korger Y.Kyosev M.Lutz M.Rabe B.Mahltig 宁旭(译) 孟粉叶(校) | 2017 | 国际纺织导报2017，45，11： | 1 |
| 3 | ITMA 2015--纺织品整理趋势:可持续发展、数码印花新时代、工业4.0即将到来显示文摘随着来自46个参展国(地区)1 691家参展商的到来,2015年国际纺织机械展览会(ITMA 2015)开创了自1951年展会成立以来的新纪录。与往届相同,纺织品整理部分也有很好展示:前处理、染色和后整理领域的303家参展商及占据了总展厅面积43%的另外113家印花公司。如ITMA 2011,许多参展商特别重视可持续发展性。展台上的设计也证明了这点:绿色和木制品随处可见,甚至展会地图上纺织品整理部分呈现的也是春意盎然的绿色。直到进入18号展厅,其在展会地图上才以鲜艳的橙色标记,与印花产品丰富的色彩相呼应。相比于ITMA 2011,数码印花在加工速度、加工安全性和颜色质量方面都获得了极大提升,目前已达到圆网印花的水平。虽然关于工业4.0的创新已告一段落,但最为重要的是,测量控制技术与软件的供应商已经意识到提升的潜力,并就机械工程合作提出了有效的解决方案。 | m.rabe b.karmann f.terzioglu j.schrick 黄明(译) 胡筱(译) 罗艳(校) | 2017 | 国际纺织导报2017，45，1： | 0 |
| 4 | Electronic correlation in nearly free electron metals with beyond-DFT methods显示文摘For more than three decades,nearly free-electron elemental metals have been a topic of debate because the computed bandwidths are significantly wider in the local density approximation to density-functional theory(DFT)than indicated by angle-resolved photoemission(ARPES)experiments.Here,we systematically investigate this using first principles calculations for alkali and alkaline-earth metals using DFT and various beyond-DFT methods such as meta-GGA,G0W0,hybrid functionals(YS-PBE0,B3LYP),and LDA+eDMFT.We find that the static non-local exchange,as partly included in the hybrid functionals,significantly increase the bandwidths even compared to LDA,while the G0W0 bands are only slightly narrower than in LDA.The agreement with the ARPES is best when the local approximation to the self-energy is used in the LDA+eDMFT method.We infer that even moderately correlated systems with partially occupied s orbitals,which were assumed to approximate the uniform electron gas,are very well described in terms of short-range dynamical correlations that are only local to an atom. | Subhasish Mandal Kristjan Haule Karin M.Rabe David Vanderbilt | 2022 | npj Computational Materials2022，，1： | 0 |
| 5 | Systematic beyond-DFT study of binary transition metal oxides显示文摘Various methods going beyond density functional theory(DFT),such as DFT+U,hybrid functionals,meta-GGAs,GW,and DFTembedded dynamical mean field theory(eDMFT),have been developed to describe the electronic structure of correlated materials,but it is unclear how accurate these methods can be expected to be when applied to a given strongly correlated solid.It is thus of pressing interest to compare their accuracy as they apply to different categories of materials.Here we introduce a novel paradigm in which a chosen set of beyond-DFT methods is systematically and uniformly tested on a chosen class of materials.For a first application,we choose the target materials to be the binary transition metal oxides FeO,CoO,MnO,and NiO in their antiferromagnetic phase and present a head-to-head comparison of spectral properties as computed using the various methods.We also compare with available experimental angle-resolved photoemission spectroscopy(ARPES),inverse-photoemission spectroscopy,and with optical absorption.For the class of compounds studied here,we find that both B3LYP and eDMFT reproduce the experiments quite well,with eDMFT doing best,in particular when comparing with the ARPES data. | Subhasish Mandal Kristjan Haule Karin M.Rabe David Vanderbilt | 2019 | npj Computational Materials2019，，1： | 0 |
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