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1.
Lithium Insertion Mechanism in Iron-Based Oxyfluorides with Anionic Vacancies Probed by PDF Analysis
Dr. Damien Dambournet Dr. Karena W Chapman Dr. Mathieu Duttine Dr. Olaf Borkiewicz Dr. Peter J Chupas Dr. Henri Groult 《ChemistryOpen》2015,4(4):443-447
The mechanism of lithium insertion that occurs in an iron oxyfluoride sample with a hexagonal–tungsten–bronze (HTB)-type structure was investigated by the pair distribution function. This study reveals that upon lithiation, the HTB framework collapses to yield disordered rutile and rock salt phases followed by a conversion reaction of the fluoride phase toward lithium fluoride and nanometer-sized metallic iron. The occurrence of anionic vacancies in the pristine framework was shown to strongly impact the electrochemical activity, that is, the reversible capacity scales with the content of anionic vacancies. Similar to FeOF-type electrodes, upon de-lithiation, a disordered rutile phase forms, showing that the anionic chemistry dictates the atomic arrangement of the re-oxidized phase. Finally, it was shown that the nanoscaling and structural rearrangement induced by the conversion reaction allow the in situ formation of new electrode materials with enhanced electrochemical properties. 相似文献
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A. V. Kel’manov L. V. Mikhailova 《Computational Mathematics and Mathematical Physics》2006,46(1):165-181
The problem of joint a posteriori detection of reference fragments in a quasi-periodic sequence and its partition into segments containing series of recurring fragments from the reference tuple is solved. It is assumed that (i) an ordered reference tuple of sequences to be detected is given, (ii) the number of desired fragments is known, (iii) the index of the sequence term corresponding to the beginning of a fragment is a deterministic (not random) value, and (iv) a sequence distorted by an additive uncorrelated Gaussian noise is available for observation. It is established that the problem consists in testing a set of hypotheses about the mean of a random Gaussian vector. The cardinality of the set grows exponentially as the vector dimension (i.e., the sequence length) increases. An efficient a posteriori algorithm producing a maximum-likelihood optimal solution to the problem is substantiated. Time and space complexity bounds related to the parameters of the problem are derived. The results of numerical simulation are presented. 相似文献
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本文介绍一种将自适应算法、遗传算法和列表调度算法结合起来应用于软硬件划分问题的算法COPARTART,并提出了一种基于约束条件的开销系数自适应调整方法,该方法所获得的划分结果能够良好体现设计目标。 相似文献
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Youssef Saab 《Journal of Heuristics》1997,3(3):207-224
A heuristic optimization methodology, Dynamic Contraction (DC), is introduced as an approach for solving a wide variety of hard combinatorial problems. Contraction is an operation that maps an instance of a problem to a smaller instance of the same problem. DC is an iterative improvement strategy that relies on contraction as a mechanism for escaping local minima. As a byproduct of contraction, efficiency is improved due to a reduction of problem size. Effectiveness of DC is shown through simple applications to two classical combinatorial problems: The graph bisection problem and the traveling salesman problem. 相似文献
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An energy-dependent partitioning scheme is explored for extracting a small number of eigenvalues of a real symmetric matrix with the help of genetic algorithm. The proposed method is tested with matrices of different sizes (30 × 30 to 1000 × 1000). Comparison is made with Löwdin’s strategy for solving the problem. The relative advantages and disadvantages of the GA-based method are analyzed 相似文献
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In single-objective optimization it is possible to find a global optimum, while in the multi-objective case no optimal solution is clearly defined, but several that simultaneously optimize all the objectives. However, the majority of this kind of problems cannot be solved exactly as they have very large and highly complex search spaces. Recently, meta-heuristic approaches have become important tools for solving multi-objective problems encountered in industry as well as in the theoretical field. Most of these meta-heuristics use a population of solutions, and hence the runtime increases when the population size grows. An interesting way to overcome this problem is to apply parallel processing. This paper analyzes the performance of several parallel paradigms in the context of population-based multi-objective meta-heuristics. In particular, we evaluate four alternative parallelizations of the Pareto simulated annealing algorithm, in terms of quality of the solutions, and speedup. 相似文献
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设(X,Y),(X1,Y1),…,(XnYn)为取值于 Rd× R的 i.i.d.随机变量,E(|Y|) <∞.设mn(x)为回归函数m(x)=E(|Y|X=x)基于分割的估计,本文在对mn(x)进行改良的条件下得到改良的基于分割的强相合估计. 相似文献
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A technique for designing efficient checkers for conventional Berger code is proposed in this paper. The check bits are derived by partitioning the information bits into two blocks, and then using an addition array to sum the number of 1's in each block. The check bit generator circuit uses a specially designed 4-input 1's counter. Two other types of 1's counters having 2 and 3 inputs are also used to realize checkers for variable length information bits. Several variations of 2-bit adder circuits are used to add the number of 1's. The check bit generator circuit uses gates with fan-in of less than or equal to 4 to simplify implementation in CMOS. The technique achieves significant improvement in gate count as well as speed over existing approaches. 相似文献