摘要：发现和优化纳米复合材料可以通过融合从头算方法和机器学习(ML)来实现,目前的瓶颈在于缺乏原子尺度上描述单体间相互作用的ML模型.我们开发了名为双区域网络(DRN)的深度学习算法,通过训练学习原子之间的多尺度交互作用,预测了由337种不同分子组成的分子对在随机构型中的电子耦合强度,平均绝对误差低至2.8 meV.基于两种截止半径的层次化材料表象被证明对DRN模型的高迁移性和鲁棒性至关重要,这种材料表征方式不仅捕获了共轭片段的局部特征,而且在模型训练之前编码了重要的分子片段间相互作用.本研究建立的ML模型为描述单体间相互作用提供了普适的建模框架,为复杂纳米复合材料的逆向设计打下了基础.

摘要：Nowadays,the electromagnetic properties of artificial photonic materials can be well-tuned via designs over their composition and ***,engineering the properties of artificial materials at the nanoscale is challenging and *** we demonstrate a facile and low-cost method for fabricating large-area silver nanoparticle metasurfaces(AgNPMSs)by using the vectorial holography-mediated growth *** AgNPMS,which can be regarded as a hologram device,possesses excellent chiroptical *** vectorial holographic technique may open avenues for fabricating novel chiroptical metamaterials with large degrees of freedom,which can be further used for beam steering,photocatalysis,biosensing,etc.

摘要：Alloyed nanoparticles with core-shell structures provide a favorable model to modulate interfacial interaction and surface structures at the atomic level,which is important for designing electrocatalysts with high activity and ***,core-shell structured Pd3M@Pt/C nanoparticles with binary PdM alloy cores(M=Fe,Ni,and Co)and a monolayer Pt shell were successfully synthesized with diverse *** these,Pd3Fe@Pt/C exhibited the best oxygen reduction reaction catalytic performance,roughly 5.4 times more than that of the commercial Pt/C catalyst used as *** significantly enhanced activity is attributed to the combined effects of strain engineering,interfacial electron transfer,and improved Pt *** functional theory simulations and extended X-ray absorption fine structure analysis revealed that engineering the alloy core with moderate lattice mismatch and alloy composition(Pd3Fe)optimizes the surface oxygen adsorption energy,thereby rendering excellent electrocatalytic *** researches may use this study as a guide on the construction of highly effective core-shell electrocatalysts for various energy conversions and other applications.

摘要：Anthocyanins have high antioxidant activities, and engineering of anthocyanin biosynthesis in staple crops, such as rice （Oryza sativa L.）, could provide health-promoting foods for improving human health. However, engineering metabolic pathways for biofortification remains difficult, and previous attempts to engineer anthocyanin production in rice endosperm failed because of the sophisticated genetic regulatory network of its biosynthetic pathway. In this study, we developed a high-efficiency vector system for transgene stacking and used it to engineer anthocyanin biosynthesis in rice endosperm. We made a construct containing eight anthocyanin-related genes （two regulatory genes from maize and six structural genes from Coleus） driven by the endosperm-specific promoters,plus a selectable marker and a gene for marker excision. Transformation of rice with this construct generated a novel biofortified germplasm ＂Purple Endosperm Rice＂ （called ＂Zijingmi＂ in Chinese）, which has high anthocyanin contents and antioxidant activity in the endosperm. This anthocyanin production results from expression of the transgenes and the resulting activation （or enhancement） of expression of 13 endogenous anthocyanin biosynthesis genes that are silenced or expressed at low levels in wild-type rice endosperm. This study provides an efficient, versatile toolkit for transgene stacking and demonstrates its use for successful engineering of a sophisticated biological pathway, suggesting the potential utility of this toolkit for synthetic biology and improvement of agronomic traits in plants.

摘要：近年来,二维过渡金属二硫化物(TMD)由于其良好的物理和化学性质而引起人们的关注。其中,石墨烯由于其高达200000 cm2·V-1·s-1高电子迁移率得到了深入研究。由于石墨烯没有带隙,因此基于石墨烯的器件难以实现高的电流开关比。对于二维过渡金属二硫化物例如MoS2、MoSe2、WSe2和WS2,这些材料可以根据层数来调节的带隙。其中,单层和多层MoS2薄膜已进行了广泛深入研究。已经有人实现具有优异电学性能的基于MoS2的场效应晶体管(FET)。与MoS2、MoSe2和MoTe2相比,WS2具有更低的面内电子质量,这表明基于WS2的FET具有更高的载流子迁移率或更高的输出电流。与MoS2相比,WS2缺乏系统的研究,需要更多的研究工作来进一步发掘基于WS2的场效应晶体管的潜能。因此,我们使用机械剥离法来制备WS2晶体单层(1L),少层(FL)和块状WS2薄膜。使用3M透明胶带转移WS2薄膜,并且使用514 nm激光器对1L、FL和块状WS2膜进行了变温的拉曼研究。随着膜厚度增加到块状,对于1L WS2,A1g(Γ)和E2g1(Γ)模式分别显示蓝移和红移。此外,当拉曼振动模式在E12g(Γ)和A1g(Γ)之间交换时,"交叉"温度被识别为1L、FL和块状WS2膜。与MoS2相比,随着膜厚度的变化,WS2在E2g1(Γ)和A1g(Γ)之间表现出较小的频率变化(Δ),并且从拉曼峰值位置随温度变化来看,WS2比MoS2少一个量级。这项工作为基于WS2的器件设计提供了物理指导。

摘要：The design of metallic materials with high strength,high ductility,and high thermal stability has always been a long-sought goal for the materials science ***,the trade-off between strength and ductility remains a ***,we proposed a new strategy to design and fabricate bulk amorphous-crystalline dual-phase superior alloys out of the Al_(80)Li_(5)Mg_(5)Zn_(5)Cu_(5)multicomponent *** nano-amorphous phase revealed unexpected thermal stability during fabrication and mechanical testing above the crystallization *** true fracture strength of the Al_(80)Li_(5)Mg_(5)Zn_(5)Cu_(5)nano-amorphous-crystal dual-phase multicomponent alloy was increased from 528 to 657 MPa,and the true strain was increased from 18%to 48%.In addition,the alloy yielded a strength 1.5 times higher than that of the commonly used high-strength aluminum alloys at 250℃.This strategy provided a new approach and concept for the design of high-performance alloys to ensure strength-plasticity balance.

摘要：An energy-storage system comprised of lithium-ion battery modules is considered to be a core component of new energy vehicles,as it provides the main power source for the transmission ***,manufacturing defects in battery modules lead to variations in performance among the cells used in series or parallel *** variation results in incomplete charge and discharge of batteries and non-uniform temperature distribution,which further lead to reduction of cycle life and battery capacity over *** solve this problem,this work uses experimental and numerical methods to conduct a comprehensive investigation on the clustering of battery cells with similar performance in order to produce a battery module with improved electrochemical *** were first performed by dismantling battery modules for the measurement of performance *** kmeans clustering and support vector clustering(SVC)algorithms were then employed to produce battery modules composed of 12 cells *** verification of the results obtained from the clustering analysis was performed by measuring the temperature rise in the cells over a certain period,while air cooling was *** was found that the SVC-clustered battery module in Category 3 exhibited the best performance,with a maximum observed temperature of 32℃.By contrast,the maximum observed temperatures of the other battery modules were higher,at 40℃for Category 1(manufacturer),36℃for Category 2(manufacturer),and 35℃for Category 4(k-means-clustered battery module).

摘要：背景:目前国内外多采用的椎弓根钉固定治疗寰枢椎不稳风险甚大,可引起钉道误置、脊髓损伤,以及椎动脉副损伤等并发症。本科充分利用记忆合金的形状记忆效应和力学特性,通过对国人寰枢椎数据测定,自行设计了一种符合寰枢椎解剖学及生物力学特征的弹性颈椎夹钩。目的:测试新型形态记忆合金颈椎夹钩治疗寰枢椎不稳的生物力学稳定性。设计、时间及地点:重复测量方差分析实验,于2008-03/04在南方医科大学临床解剖和医用生物力学实验室完成。材料:C0～C4标本均取自8具意外死亡的成年男性新鲜尸体,由南方医科大学临床解剖教研室提供。寰枢椎新型形态记忆合金颈椎夹钩,镍含量为50.8%～51.8%,余为钛,委托上海昕昌记忆合金有限公司加工制作而成。方法:上颈椎新鲜尸体标本8具依次参加4组试验,正常状态组、寰枢椎不稳组、新型形态记忆合金颈椎夹钩固定组、德国蛇牌SSE挂钩固定组。将标本固定于脊柱三维运动试验机上,施加2.0N·m的纯力偶矩。测量标本的前屈、后伸、左侧弯、右侧弯以及左、右旋转等6个运动方向的运动幅度。由激光三维扫描仪扫描上颈椎在零载荷至最大载荷状态下的位置情况,用图像处理软件分析,分别测出不同状态下的三维运动范围。主要观察指标:各组不同运动状态下的脊柱运动范围。结果:新型形态记忆合金颈椎夹钩固定组与德国蛇牌SSE挂钩固定组屈伸稳定性相当,差异无统计学意义(P=0.595);新型形态记忆合金颈椎夹钩组侧弯状态下的运动范围高于德国蛇牌SSE挂钩组(P<0.05),旋转状态下的运动范围低于德国蛇牌SSE挂钩组(P<0.05)。结论:新型形态记忆合金颈椎夹钩组具有与德国蛇牌SSE挂钩相当的术后即时稳定性。侧弯稳定性稍不及德国蛇牌SSE挂钩,旋转稳定性略优于德国蛇牌SSE挂钩。

摘要：This paper presents a process development and design of chlorine dioxide production based on hydrogen peroxide. The process is characterized by cleaner production, high efficiency, and waste minimization. Optimization of process conditions, selection of equipment, and experiment of recycle of waste acid are carried out. The process design is realized in consideration of several aspects such as operation, material, equipment design and safety. An industrialized process flowsheet is developed according to experiment. A pilot testing is carried out to confirm the lab results. Process design of chlorine dioxide production based on hydrogen peroxide is realized.

摘要：Developing materials with excellent properties has been the untiring pursuit of *** glasses(MGs)would be the ideal metallic materials if their size could be scaled up to be comparable to traditional *** address this challenge,a variety of approaches have been attempted over the past decades,including thermodynamicsbased alloy,3D printing and the recent artificial intelligenceguided optimal *** this study,a facile and flexible route was demonstrated to manufacture giant MGs(GMGs)with diameters more than 100 mm through the thermo-joining *** jointed GMG samples feature almost the same performance as the as-cast *** ability of manufacturing complex 3D components such as the Chinese Zodiacs was also *** approach might overcome the longstanding problem of glass forming ability(GFA)limitations in alloy systems and pave new concept and route to fabricate size unlimited MGs.