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A Multifunctional 3d Cd-Based Metal-Organic Frameworks for the Highly Luminescence Sensitive Detection of Cro42-/Cr2o72- and Nitro Aromatic Compounds 一种多功能三维cd基金属有机骨架用于高发光灵敏度检测Cro42-/Cr2o72-和硝基芳香族化合物
Pub Date : 2020-05-07 DOI: 10.1016/j.poly.2020.114691
Wen Xi, Guang Ma, Xingang Wang, Zhi-Hua Sun, Jiange Li, Long Zhang
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引用次数: 10
Architecting a Gradient Multilayered Structure to Concurrently Strengthen and Toughen Ti/Mo Nanoscale Multilayers 构建梯度多层结构以同时增强和增韧Ti/Mo纳米多层材料
Pub Date : 2020-04-15 DOI: 10.2139/ssrn.3566587
S. Yu, T.T. Li, Y. Hu, W.S. Wang, C.X. Wang, T. Wang, L.J. Bai, G. Zhang
Most nanoscale metallic multilayers (NMMs) exhibit ultra-high hardness but limited toughness. To toughen Ti/Mo NMMs, a gradient multilayered (GM) structure was architected via manipulating individual layer thickness (h) gradient distribution along the film growth direction. The resulting GM structure significantly raises the toughness of Ti/Mo NMMs without reducing their peak hardness. High back stress developed from the plastic incompatibilities stemmed from aggravated microstructural heterogeneity is primarily responsible for the unprecedented synergy of hardness and toughness. Our findings provide a promising approach to concurrently strengthen and toughen NMMs.
大多数纳米级金属多层材料具有超高的硬度,但韧性有限。为了使Ti/Mo纳米材料增韧,通过控制各层厚度(h)沿薄膜生长方向的梯度分布,构建了梯度多层(GM)结构。由此产生的GM结构显著提高了Ti/Mo纳米材料的韧性,但没有降低其峰值硬度。显微组织非均质性加剧导致塑性不相容而产生的高背应力是硬度和韧性空前协同的主要原因。我们的研究结果为同时强化和强化nmm提供了一种有希望的方法。
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引用次数: 0
Study of Structural and Magnetic Properties of Bi 1-xNi x FeO 3 bi1 - xni x feo3的结构和磁性能研究
Pub Date : 2020-04-08 DOI: 10.2139/ssrn.3575685
J. Raval, Kailas Patole, Sakina Kachwala, Aarjav Sanghvi, Umesh R. Shinde
Bismuth Nickel iron(III) oxide (Bi 1-x Ni x FeO 3 ) is a multiferroic substance that has unique characteristic property of high antiferromagnetism & ferroelectricity. Pure Bi 1-x Ni x FeO 3 is obtained by calcining the semi synthesized(porous) product at 700°C. The report explains preparation of pure Bi 1-x Ni x FeO 3 using a cost effective, continuous stirring (combustion) method along with calcination. Molar ratio of Bi/Ni is varied as for the values of x=0.1,0.2,0.3,0.4. The results indicates formation of pure Bi 1-x Ni x FeO 3 product in the porous sol-gel form firstly and then powdered form finally after calcination for all values of 'x' ratio of Bi/Ni.
铋镍铁(III)氧化物(Bi 1-x Ni x FeO 3)是一种具有高反铁磁性和铁电性的多铁性物质。在700℃下煅烧半合成(多孔)产物,得到了纯净的bi1 -x Ni x feo3。该报告解释了使用经济有效的连续搅拌(燃烧)方法以及煅烧制备纯bi1 -x Ni x feo3的方法。当x=0.1、0.2、0.3、0.4时,Bi/Ni的摩尔比发生变化。结果表明:在不同Bi/Ni比值下,煅烧后先以多孔溶胶-凝胶形式生成纯Bi 1-x Ni x feo3,最后以粉末形式生成。
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引用次数: 0
Unconventional Non-Uniform Local Lattice Distortion in Dilute Ti-Mo Solid Solution 稀钛钼固溶体中非常规非均匀局部晶格畸变
Pub Date : 2020-03-28 DOI: 10.2139/ssrn.3604737
Q. Hu, Rui Yang
The substitutional solute atom induced local lattice distortion (LLD) in dilute metal solid solution was believed to be uniform that may even be modeled by using soap bubble raft. Contrary to this conventional picture, we report in this manuscript that the Mo induced LLD in dilute Ti-Mo solid solution is highly non-uniform as evidenced by our first principles calculations. The non-uniform LLD is ascribed to the Jahn-Teller splitting of the degenerated d states of Mo atom. We propose that the substitutional solid solutions with non-uniform LLD should satisfy two conditions. With which, the solid-solutions suffering from non-uniform LLD are predicted. The non-uniform LLD is expected to result in non-spherical stress field around the solute atom, and, therefore, challenges the application of classical solid solution hardening model to this kind of solid solutions.
认为取代溶质原子在稀金属固溶体中引起的局部晶格畸变是均匀的,甚至可以用肥皂泡筏来模拟。与这一传统观点相反,我们在这篇论文中报告了Mo诱导的LLD在稀Ti-Mo固溶体中是高度不均匀的,我们的第一性原理计算证明了这一点。非均匀LLD是由Mo原子简并d态的Jahn-Teller分裂引起的。我们提出具有非均匀LLD的替代固溶体应满足两个条件。据此,预测了非均匀LLD的固溶体。非均匀LLD将导致溶质原子周围的非球形应力场,这对经典固溶硬化模型在这类固溶体中的应用提出了挑战。
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引用次数: 15
Research of Temperature Change of Pavement Heating in the Process of Hot In-Place Recycling of Asphalt Concrete 沥青混凝土就地热回收过程中路面加热温度变化研究
Pub Date : 2020-03-05 DOI: 10.15587/2312-8372.2020.200628
V. Savenko, Sergii Illiash, T. Stasiuk
The object of research is the technology of hot asphalt concrete regeneration by the in-place method. Temperature regimes for heating asphalt concrete pavement are one of the key technological parameters that affect the quality of the output regenerated asphalt concrete. In order to establish the dependence of the temperature of the pavement heating at different depths on the heating time, field studies are carried out directly when performing work on the hot regeneration of asphalt concrete using the Reshape method. The work is carried out at an ambient temperature of 25–30 °C and calm weather. The regenerated hot asphalt mix, which is used when conducting studies on the grain composition and bitumen content, corresponded to a hot, fine-grained mixture, dense asphalt concrete, type A, continuous granulometry, grade II, in accordance with DSTU B V.2.7-119:2011. Content of residual bitumen loosened asphalt crumb is 6.0 %. During the research, measurements are carried out at different speeds (1.8 m/min and 2.1 m/min) of the thermal installation for heating the Wirtgen HM 4500 asphalt concrete pavement (country of origin is Germany). The obtained graphical dependencies and mathematical models make it possible to determine that the most optimal pavement heating mode is gradual heating. This mode will allow avoiding the burning of bitumen and provide pavement heating at the level of the base of the regenerated layer, which is very important when determining the temperature of mixing the mixture. Analysis of graphs and mathematical models suggests that a decrease in the temperature of the pavement heating by at least 10–20 °C will lead to an increase in the performance of the thermal device. In this case, the increase in productivity can be from 20 % to 25 %, which will reduce the gas consumption and, accordingly, the cost of work. Thus, the obtained dependencies can be used to optimize the process of hot asphalt concrete regeneration by the in-place method.
本文的研究对象是热沥青混凝土就地再生技术。沥青混凝土路面加热温度制度是影响产出再生沥青混凝土质量的关键技术参数之一。为了建立不同深度路面加热温度对加热时间的依赖关系,在对沥青混凝土进行重塑法热再生工作时,直接进行了现场研究。工作环境温度为25-30°C,天气平静。再生热沥青混合料在进行颗粒组成和沥青含量研究时使用,对应于热的细粒混合料,致密沥青混凝土,a型,连续粒度,II级,符合DSTU B V.2.7-119:2011。松散沥青屑残余沥青含量为6.0%。在研究过程中,以不同的速度(1.8 m/min和2.1 m/min)对加热Wirtgen HM 4500沥青混凝土路面的热装置进行了测量(原产国为德国)。得到的图形依赖关系和数学模型可以确定最优的路面加热方式是渐进加热。这种模式可以避免燃烧沥青,并在再生层的基层提供路面加热,这在确定混合料的温度时非常重要。图形和数学模型分析表明,路面加热温度降低至少10-20°C将导致热装置性能的提高。在这种情况下,生产率可以提高20%到25%,这将减少天然气消耗,从而降低工作成本。由此得出的相关关系可用于就地法优化热沥青混凝土再生工艺。
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引用次数: 0
Computation-Driven Mechanistic Understanding of the Cellular Cost and Role of Defensive Pigment Production in a Polyextremotolerant Fungus 一个多极端耐受性真菌的细胞成本和防御性色素生产的计算驱动机制理解
Pub Date : 2020-03-03 DOI: 10.2139/ssrn.3528691
Wheaton L. Schroeder, S. Harris, Rajib Saha
The polyextremotolerant black yeast Exophiala dermatitidis is a tractable model system for investigation of adaptations under extreme conditions. Foremost amongst these adaptations is production of the defensive pigments melanins and carotenoids. A particularly important question is their metabolic production cost. However, this investigation has been hindered by a relatively poor systems-level understanding of E. dermatitidis metabolism. To address this challenge, a genome-scale model (iEde2091) was developed. Using iEde2091, carotenoids were found to be more expensive to produce than melanins. Given their overlapping protective functions, this suggests that carotenoids have an underexplored yet important role of photo-protection under high-energy visible light. Furthermore, multiple defensive pigments with overlapping functions might allow E. dermatitidis to minimize cost. Because iEde2091 revealed that E. dermatitidis synthesizes the same melanins as humans and the active sites of the key tyrosinase enzyme are highly conserved, this model may enable a broader understanding of melanin production across kingdoms.
多极端耐受性黑酵母菌皮炎外菌是一种易于处理的模型系统,用于研究极端条件下的适应性。在这些适应中,最重要的是防御性色素黑色素和类胡萝卜素的产生。一个特别重要的问题是它们的代谢生产成本。然而,由于对皮炎杆菌代谢的系统水平了解相对较差,这项研究受到了阻碍。为了应对这一挑战,我们开发了一个基因组尺度模型(iEde2091)。使用iEde2091,类胡萝卜素的生产成本比黑色素要高。鉴于它们重叠的保护功能,这表明类胡萝卜素在高能可见光下的光保护作用尚未得到充分开发。此外,多种功能重叠的防御色素可能使皮炎的成本最小化。由于iEde2091揭示了皮炎杆菌合成与人类相同的黑色素,并且关键酪氨酸酶的活性位点高度保守,该模型可能使人们更广泛地了解跨王国的黑色素产生。
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引用次数: 0
Click Cross-Linking Improves Retention and Targeting of Refillable Alginate Depots 点击交叉链接可以提高可填充藻酸盐仓库的保留率和目标
Pub Date : 2020-03-03 DOI: 10.2139/ssrn.3542984
Christopher T. Moody, Sandeep Palvai, Y. Brudno
Injectable alginate hydrogels have demonstrated utility in tissue engineering and drug delivery applications due in part to their mild gelation conditions, low host responses and chemical versatility. Recently, the potential of these gels has expanded with the introduction of refillable hydrogel depots - alginate gels chemically decorated with click chemistry groups to efficiently capture prodrug refills from the blood. Unfortunately, high degrees of click group substitution on alginate lead to poor viscoelastic properties and loss of ionic cross-linking. In this work, we introduce tetrabicyclononyne (tBCN) agents that covalently cross-link azide-modified alginate hydrogels for tissue engineering and drug delivery application in vivo. Adjusting cross-linker concentration allowed tuning the hydrogel mechanical properties for tissue-specific mechanical strength. The bioorthogonal and specific click reaction creates stable hydrogels with improved in vivo properties, including improved retention at injected sites. Azide-alginate hydrogels cross-linked with tBCN elicited minimal inflammation and maintained structural integrity over several months and efficiently captured therapeutics drug surrogates from the circulation. Taken together, azide-alginate hydrogels cross-linked with tBCN convey the benefits of alginate hydrogels for use in tissue engineering and drug delivery applications of refillable drug delivery depots. Statement of Significance Ionically cross-linked, injectable alginate biomaterials hold promise in many different clinical settings. However, adding new chemical functionality to alginate can disrupt their ionic cross-linking, limiting their utility. We have developed a "click" cross-linking strategy to improve the mechanical properties and tissue function of modified alginate biomaterials and enable them to capture small molecule drugs from the blood. We show that click cross-linked materials remain in place better than ionically cross-linked materials and efficiently capture payloads from the blood. Development of click cross-linking for refillable depots represents a crucial step toward clinical application of this promising drug delivery platform.
可注射海藻酸盐水凝胶在组织工程和药物输送应用中已经证明了它的实用性,部分原因是它具有温和的凝胶条件,低宿主反应和化学多功能性。最近,这些凝胶的潜力随着可再填充水凝胶仓库的引入而扩大——海藻酸盐凝胶用化学修饰,以有效地从血液中捕获前药再填充。不幸的是,海藻酸盐上高程度的点击基团取代会导致较差的粘弹性和离子交联的损失。在这项工作中,我们介绍了共价交联叠氮修饰海藻酸盐水凝胶的四环克隆酮(tBCN)制剂,用于组织工程和体内给药应用。调整交联剂浓度可以调整水凝胶的机械性能,以达到组织特异性的机械强度。生物正交和特异性点击反应产生稳定的水凝胶,改善了体内性能,包括改善了注射部位的保留率。叠氮酰海藻酸盐水凝胶与tBCN交联,引起最小的炎症,并在几个月内保持结构完整性,并有效地从循环中捕获治疗药物替代品。综上所述,叠氮化物-海藻酸盐水凝胶与tBCN交联,传达了海藻酸盐水凝胶在组织工程和可再填充药物输送库的药物输送应用中的好处。离子交联的可注射海藻酸盐生物材料在许多不同的临床环境中都有应用前景。然而,向海藻酸盐中添加新的化学功能会破坏它们的离子交联,限制它们的效用。我们已经开发了一种“点击”交联策略,以改善改性海藻酸盐生物材料的机械性能和组织功能,并使它们能够从血液中捕获小分子药物。我们表明,点击交联材料比离子交联材料更能保持原位,并有效地从血液中捕获有效载荷。可重复填充储药库的点击交联的开发是这一前景广阔的给药平台临床应用的关键一步。
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引用次数: 18
Microstructure and Properties of a Co-Free Fe50mn27ni10cr13 High Entropy Alloy 无co Fe50mn27ni10cr13高熵合金的组织与性能
Pub Date : 2020-03-02 DOI: 10.2139/ssrn.3542973
R. K. Nutor, Muhammad Azeemullah, Q. Cao, X. D. Wang, D.X. Zhang, J. Jiang
The microstructure, mechanical and corrosion properties of a cost-effective face-center cubic (fcc)-structured Co-free Fe50Mn27Ni10Cr13 high entropy alloy (HEA), which is developed here, have been studied using a comprehensive approach of ex-situ tensile tests, in-situ SEM/EBSD tensile measurements, ex-situ TEM studies, Tafel polarization, and immersion tests. After thermo-mechanical treatments, this alloy exhibits a tensile strength of 463 MPa and elongation of over 40% which are comparable to other expensive HEAs. A miniature-designed dog-bone specimen for in-situ SEM/EBSD measurements was successfully employed to study the underlying deformation mechanisms of the alloy, exhibiting the double-fiber 〈111〉 and 〈001〉 texture typical of TWIP steels. Nano-, meso- and macro-scale studies revealed that the excellent combination of strength and ductility of this newly-developed cost-effective fcc-structured HEA is originated from the formation of stacking faults and nano-twins during tensile deformation. This newly-developed alloy also exhibits good corrosion resistance in the following solutions: NaCl > NaOH > H2SO4 > HCl. The corrosion resistance was mostly found to be dependent on the amount of Mn-oxide in the passive film formed on the surface of the alloy. This work, following the non-equiatomic HEA design strategy, develops a cost-effective HEA with a good combination of mechanical with corrosion properties, which will trigger more investigations.
采用非原位拉伸试验、原位SEM/EBSD拉伸测量、非原位TEM研究、Tafel极化和浸没试验等综合方法,研究了高成本效益的面心立方(fcc)结构无co Fe50Mn27Ni10Cr13高熵合金(HEA)的微观结构、力学性能和腐蚀性能。经过热处理,该合金的抗拉强度为463 MPa,伸长率超过40%,与其他昂贵的HEAs相当。采用微型设计的狗骨试样进行原位SEM/EBSD测量,成功地研究了合金的潜在变形机制,显示出TWIP钢典型的双纤维< 111 >和< 001 >织构。纳米尺度、细观尺度和宏观尺度的研究表明,这种经济高效的fcc结构HEA的强度和延展性的优异结合源于拉伸变形过程中层错和纳米孪晶的形成。该合金在NaCl > NaOH > H2SO4 > HCl溶液中具有良好的耐蚀性。耐蚀性主要取决于合金表面形成的钝化膜中mn -氧化物的含量。这项工作遵循非等原子HEA设计策略,开发了一种具有良好机械性能和腐蚀性能的经济高效HEA,这将引发更多的研究。
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引用次数: 3
Interphase Boundary Segregation and Precipitate Coarsening Resistance in Ternary Alloys: An Analytic Phase-Field Model Describing Chemical Effects 三元合金的相界面偏析和抗析出物粗化:描述化学效应的解析相场模型
Pub Date : 2020-02-21 DOI: 10.2139/ssrn.3539253
S. Kadambi, F. Abdeljawad, S. Patala
Abstract Many experimental and first principles studies on precipitation hardening alloys show that segregation of elemental species to the matrix-precipitate interphase boundary (IB) reduces the boundary’s energy. This segregation mechanism can thermally stabilize the microstructure against precipitate coarsening processes and allow for higher operating temperatures in structural applications. In this paper, we develop a phase-field modeling framework to describe IB solute segregation in ternary alloys. The interfacial thermodynamics is effectively described by defining an IB phase with a characteristic free energy-concentration dependence. Equilibrium for the IB phase is established via the parallel tangent plane construction, analogous to classical treatments for segregation to free surfaces and grain boundaries. Analytic steady-steady solutions elucidating the dependence of IB properties on bulk phase composition, temperature and model parameters are derived for a one-dimensional system. Analytic relations for the classical thermodynamic quantities–IB energy and relative solute excess–are derived and the Gibbs adsorption equation is shown to hold; therefore, predictions of the model can be compared with experiments and atomistic simulations. An application of the model is demonstrated for Zn segregation to Mg/Mg2Sn using representative IB parameters. A two-particle coarsening simulation of IB segregation is performed: the result demonstrates enhanced coarsening resistance of the ternary alloy relative to the binary alloy.
摘要许多关于沉淀硬化合金的实验和第一性原理研究表明,元素种向基体-析出相界面(IB)的偏析降低了界面的能量。这种偏析机制可以热稳定微观组织,防止沉淀粗化过程,并允许在结构应用中使用更高的工作温度。在本文中,我们开发了一个相场建模框架来描述三元合金中IB溶质偏析。通过定义具有自由能浓度依赖特征的IB相,有效地描述了界面热力学。IB相的平衡是通过平行切面结构建立的,类似于自由表面和晶界的偏析的经典处理。导出了一维系统中IB性质与体相组成、温度和模型参数相关的解析定常解。导出了经典热力学量(ib能和相对溶质过剩)的解析关系,并证明了吉布斯吸附方程成立;因此,模型的预测可以与实验和原子模拟进行比较。用代表性的IB参数证明了该模型在Zn向Mg/Mg2Sn偏析中的应用。结果表明,相对于二元合金,三元合金的抗粗化性能有所提高。
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引用次数: 6
Atorvastatin Calcium and Poly(L-lactide-co-caprolactone) Core-Shell Nanofiber Covered Stent Separating Aneurysm and Promoting Endothelialization 阿托伐他汀钙和聚l -乳酸-己内酯核壳纳米纤维覆盖支架分离动脉瘤和促进内皮化
Pub Date : 2020-02-21 DOI: 10.2139/ssrn.3539225
Jin Chu, Li Chen, Zengshuo Mo, A. Aldalbahi, M. El-Newehy, Wu Wang, X. Mo
Aneurysmal subarachnoid hemorrhage caused by intracranial aneurysm is one of the common cerebrovascular diseases can lead to hemorrhagic stroke, brain damage and death. To prevent thrombosis, rapid endothelialization of the lumen of stent is the most critical approaches. In this study, we explored a controlled release covered stent with core-shell nanofibers via emulsion electrospinning for treating aneurysms. By encapsulating atorvastatin calcium (Atv) within the core of poly (L-lactide-co-caprolactone) (PLCL) nanofibers, the release period of Atv was effectively extended. The morphology and inner-structure of the core-shell nanofibers were respectively observed by scanning electron microscopy and transmission electron microscopy. The release of atorvastatin calcium from the nanofiber lasted for more than 10 weeks without serious initial burst release. The nanofiber films could keep complete morphology after degraded for 3 months. The study demonstrated that atorvastatin calcium promoted the synthesis of nitric oxide (NO) in HUVECs and further the proliferation of HUVECs in vitro. Animal studies showed that PLCL-Atv covered stent could separate the aneurysm dome from the blood circulation and obliterate aneurysm. Moreover, the release of Atv could promote the proliferation of HUVECs on nanofiber films and induction of rapid endothelialization.
动脉瘤性蛛网膜下腔出血是颅内动脉瘤引起的常见脑血管疾病之一,可导致出血性中风、脑损伤和死亡。为了防止血栓形成,支架内腔快速内皮化是最关键的途径。在这项研究中,我们探索了一种控制释放的覆盖支架核壳纳米纤维通过乳液静电纺丝治疗动脉瘤。通过将阿托伐他汀钙(Atv)包埋在聚l -乳酸-co-己内酯(PLCL)纳米纤维芯内,有效延长了阿托伐他汀钙的释放期。通过扫描电镜和透射电镜分别观察了核壳纳米纤维的形貌和内部结构。纳米纤维中阿托伐他汀钙的释放持续10周以上,未出现严重的初始爆裂释放。降解3个月后,纳米纤维膜能保持完整的形态。研究表明,阿托伐他汀钙促进HUVECs体内一氧化氮(NO)的合成,促进HUVECs体外增殖。动物实验表明,PLCL-Atv覆膜支架可以将动脉瘤穹窿与血液循环分离,并将动脉瘤消灭。此外,Atv的释放可以促进HUVECs在纳米纤维膜上的增殖和诱导快速内皮化。
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引用次数: 1
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