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| 1 | Machine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm显示文摘The use of machine learning in computational molecular design has great potential to accelerate the discovery of innovative materials.However,its practical benefits still remain unproven in real-world applications,particularly in polymer science.We demonstrate the successful discovery of new polymers with high thermal conductivity,inspired by machine-learning-assisted polymer chemistry.This discovery was made by the interplay between machine intelligence trained on a substantially limited amount of polymeric properties data,expertise from laboratory synthesis and advanced technologies for thermophysical property measurements.Using a molecular design algorithm trained to recognize quantitative structure—property relationships with respect to thermal conductivity and other targeted polymeric properties,we identified thousands of promising hypothetical polymers.From these candidates,three were selected for monomer synthesis and polymerization because of their synthetic accessibility and their potential for ease of processing in further applications.The synthesized polymers reached thermal conductivities of 0.18–0.41 W/mK,which are comparable to those of state-of-the-art polymers in non-composite thermo-plastics. | Stephen Wu Yukiko Kondo Masa-aki Kakimoto Bin Yang Hironao Yamada Isao Kuwajima Guillaume Lambard Kenta Hongo Yibin Xu Junichiro Shiomi Christoph Schick Junko Morikawa Ryo Yoshida | 2019 | npj Computational Materials2019，，1： | 14 |
| 2 | The Effect of Self-nucleation on Isothermal Crystallization Kinetics of Poly(butylene succinate)(PBS) Investigated by Differential Fast Scanning Calorimetry显示文摘Differential fast scanning calorimetry(DFSC) was employed on the study of self-nucleation behavior of poly(butylene succinate)(PBS).The ultra-fast cooling ability of DFSC allows investigating the effect of self-nucleation on the isothermal crystallization kinetics over a wide temperature range.Crystallization half-time,instead of crystallization peak temperature,was used to describe the self-nucleation behavior,and the self-nucleation domain for the samples crystallized at different temperatures was determined.Due to the competition between homogenous nucleation and self-nuclei,the effect of self-nucleation was less pronounced at high supercooling than that for the sample isothermally crystallized at higher temperature.An efficiency scale to judge the efficiency of nucleating agents from the crystallization half-time was also introduced in this work. | Jing Jiang Evgeny Zhuravlev Wen-bing Hu Christoph Schick 周东山 | 2017 | Chinese Journal of Polymer Science2017，35，8： | 4 |
| 3 | 高合金化Al-Zn-Mg-Cu系7049A合金的连续冷却析出图(英文)显示文摘研究了所有有技术价值的冷却速率范围内7049A铝合金的析出行为。冷却速率从接近平衡冷却时的慢速条件变化到形成完全超饱和固溶体的高速率,跨越了7个数量级(0.0005到5000K/s)。7049A铝合金连续冷却析出行为采用差热分析(DSC)、扫描电镜(SEM)和维氏硬度测量相结合的方法记录。冷却速率在0.0005到4K/s时,对高合金化、高强度和高淬火敏感性的变形铝合金7049A从固溶温度下的淬火析出行为采用传统的DSC方法研究。在此冷却速率范围内,至少观察到了两个放热反应:一个是在很窄的温度区间430~450℃内的高温反应;另外一个是最低到200℃且范围很宽的低温反应。这两个反应的强度随着冷却速率的增高而降低。采用快速差热分析(DFSC)和差分再加热方法(DRM)对合金淬火冷却速率从慢速到数千K/s时的析出行为进行了研究。该合金不析出沉淀相时的临界淬火速率为100~300K/s。 | Davit ZOHRABYAN Benjamin MILKEREIT Christoph SCHICK Olaf KESSLER | 2014 | Transactions of Nonferrous Metals Society of China2014，24，7： | 3 |
| 4 | 快速可控降温及纳米薄膜体系用芯片量热仪:综述显示文摘本论文主要介绍在过去的5年中,Rostock大学物理研究所发展起来的可控降温,以及升温速度可以达到106K.s-1的薄膜芯片量热仪。许多材料,特别是高分子材料的物理性质通常都强烈地依赖于其热历史,这一量热仪已经成功地用于它们的快速热处理以及同步的热力学量(如热容、焓等)的测量。从而为我们进行亚稳态结构的形成与演化、超快热处理中新的人工材料的制备等问题提供了新的研究手段。此外,由于其非常小的附加热容,该量热仪具有非常高的灵敏性,可用于只有几十纳克的样品的研究。利用交流差分(AC)设计,量热仪的灵敏度提高到几十pico pJ.K-1的量级。从而可以研究受限于厚度仅为几个纳米的高分子薄膜的玻璃化转变过程中热容的变化。本文先讨论要实现快速降温的策略,然后描述该量热仪的传感器的静态和动态热温性质,最后介绍在高分子研究中的几个例子,证实该量热仪在不同测量模式下的应用能力。 | 陈葳 周东山 薛奇 Christoph Schick | 2008 | 物理学进展2008，28，2： | 2 |
| 5 | Coordination polymers of dipyridyldicarboxylates 'Infinite' chains of octahedral coordinated Mnn atoms and water molecules 显示文摘 | Thomas Schareina Christoph Schick Rhett Kempe | 2001 | Z Anorg Allg Chem2001，627，： | 1 |
| 6 | Coordination polymers of bipyridyldicarboxylates a cobalt containing 12,3-net with potential reactive sites 显示文摘 | Thomas Schareina Christoph Schick Rhett Kempe | 2001 | Z Anorg Allg Chem2001，627，： | 1 |
| 7 | In situ differential scanning calorimetry analysis of dissolution and precipitation kinetics in Mg-Y-RE alloy WE43显示文摘Further development of our differential scanning calorimetry(DSC)method for the analysis of solid-solid phase transformations now also allows for its application in the kinetic analysis of age hardening in Mg alloys.As a result,the state-of-the-art for DSC on Mg alloys has been improved with respect to the accessible temperature range,zero-level accuracy and dynamic range.DSC analysis was performed on the example of Mg wrought alloy WE43.Heating DSC experiments on the initial condition T4 and even direct continuous cooling DSC analysis on the kinetics of quench induced precipitation during cooling from solution treatment were possible,covering a dynamic range of 0.01-3 K/s.The DSC findings are discussed with respect to literature knowledge and scanning electron microscopy analysis of the defined heat treatment states. | Benjamin Milkereit Lydia Burgschat Richard H.Kemsies Armin Springer Christoph Schick Olaf Kessler | 2019 | Journal of Magnesium and Alloys2019，7，1： | 1 |
| 8 | High Survivin Expression is Associated with Reduced Apoptosis in Rectal Cancer and May Predict Disease-Free Survival after Preoperative Radiochemotherapy and Surgical Resection显示文摘 | Franz R?del J?rg Hoffmann Gerhard G. Grabenbauer Thomas Papadopoulos Christian Wei? Klaus Günther Christoph Schick Rolf Sauer Claus R?del | 2002 | Strahlentherapie und Onkologie2002，，8： | 1 |
| 9 | 铸态Al-7Si-0.3Mg合金的连续冷却析出图(英文)显示文摘采用冷却速率为0.01~3K/s的差示扫描量热法(DSC)和冷却速率更高的淬火膨胀法研究铸态Al-7Si-0.3Mg合金淬火的析出行为。在合金冷却的过程中发生了两种析出反应,高温反应开始于淬火起始温度540℃,低温反应始于400℃左右。3K/s的淬火冷却速率已经显著抑制淬火过程中相的析出。合金T6态的硬度随着淬火速率的增快而增加,这是由合金过饱和固溶度增加而导致的。通过膨胀实验和硬度实验的结果可以估计临界冷却速率大约为60K/s。通过光学显微镜观察淬火态的铸态Al-7Si-0.3Mg合金的显微组织。结果表明:根据淬火冷却速率的不同合金的显微组织由铝一硅共晶组织、铝固溶体枝晶及枝晶间的析出相组成。 | Benjamin MILKEREIT Hannes FRCK Christoph SCHICK Olaf KESSLER | 2014 | Transactions of Nonferrous Metals Society of China2014，24，7： | 1 |
| 10 | Mesophases in polyethylene, polypropylene, and poly(1-butene) 显示文摘 | Rene Androsch Maria Laura Di Lorenzo Christoph Schick | 2010 | Polymer2010，51，21： | 1 |
| 11 | Preoperative Radiation with Concurrent 5-Fluorouracil for Locally Advanced T4-Primary Rectal Cancer显示文摘 | Claus R?del Gerhard G. Grabenbauer Christoph Schick Thomas Papadopoulos Werner Hohenberger Rolf Sauer | 2000 | Strahlentherapie und Onkologie2000，，4： | 1 |
| 12 | 快速可控降温及纳米薄膜体系用芯片量热仪显示文摘主要介绍在过去的5年中,Rostock大学物理研究所发展起来的可控降温,以及升温速度可以达到10^6K·S-1的薄膜芯片量热仪.许多材料,特别是高分子材料的物理性质通常都强烈地依赖于其热历史,这一量热仪已经成功地用于它们的快速热处理以及同步的热力学量(如热容、焓等)的测量.从而为我们进行亚稳态结构的形成与演化、超快热处理中新的人工材料的制备等问题提供了新的研究手段, | 陈蒇 周东山 薛奇 Christoph Schick | 2008 | 中国学术期刊文摘2008，14，19： | 0 |
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