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1.
《Operations Research Letters》2022,50(3):274-280
The minimum k-enclosing ball problem seeks the ball with smallest radius that contains at least k of m given points. This problem is NP-hard. We present a branch-and-bound algorithm on the tree of the subsets of k points to solve this problem. Our method is able to solve the problem exactly in a short amount of time for small and medium sized datasets. 相似文献
2.
Dr. Yulia Y. Enakieva Dr. Anna A. Sinelshchikova Prof. Mikhail S. Grigoriev Prof. Vladimir V. Chernyshev Dr. Konstantin A. Kovalenko Prof. Irina A. Stenina Prof. Andrey B. Yaroslavtsev Prof. Yulia G. Gorbunova Prof. Aslan Y. Tsivadze 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(45):10552-10556
The design of new solid-state proton-conducting materials is a great challenge for chemistry and materials science. Herein, a new anionic porphyrinylphosphonate-based MOF ( IPCE-1Ni ), which involves dimethylammonium (DMA) cations for charge compensation, is reported. As a result of its unique structure, IPCE-1Ni exhibits one of the highest value of the proton conductivity among reported proton-conducting MOF materials based on porphyrins (1.55×10−3 S cm−1 at 75 °C and 80 % relative humidity). 相似文献
3.
Renny Mathew Karolina A. Uchman Lydia Gkoura Chris J. Pickard Maria Baias 《Magnetic resonance in chemistry : MRC》2020,58(11):1018-1025
A combined experimental and computational approach was used to distinguish between different polymorphs of the pharmaceutical drug aspirin. This method involves the use of ab initio random structure searching (AIRSS), a density functional theory (DFT)-based crystal structure prediction method for the high-accuracy prediction of polymorphic structures, with DFT calculations of nuclear magnetic resonance (NMR) parameters and solid-state NMR experiments at natural abundance. AIRSS was used to predict the crystal structures of form-I and form-II of aspirin. The root-mean-square deviation between experimental and calculated 1H chemical shifts was used to identify form-I as the polymorph present in the experimental sample, the selection being successful despite the large similarities between the molecular environments in the crystals of the two polymorphs. 相似文献
4.
Mourad Kainane Mezadek Mohamed Kainane Mezadek Michael Reissig 《Mathematical Methods in the Applied Sciences》2020,43(6):3117-3147
In this paper, we study the global (in time) existence of small data solutions to the Cauchy problem for the semilinear wave equation with friction, viscoelastic damping, and a power nonlinearity. We are interested in the connection between regularity assumptions for the data and the admissible range of exponents p in the power nonlinearity. 相似文献
5.
Let ir(G) and γ(G) be the irredundance number and the domination number of a graph G, respectively. A graph G is called irredundance perfect if ir(H)=γ(H), for every induced subgraph H of G. In this article we present a result which immediately implies three known conjectures on irredundance perfect graphs. © 2002 Wiley Periodicals, Inc. J Graph Theory 41: 292–306, 2002 相似文献
6.
We obtain upper bounds for the tail distribution of the first nonnegative sum of a random walk and for the moments of the overshoot over an arbitrary nonnegative level if the expectation of jumps is positive and close to zero. In addition, we find an estimate for the expectation of the first ladder epoch. 相似文献
7.
Annegret K. Wagler 《Mathematical Methods of Operations Research》2002,56(1):127-149
An edge e of a perfect graph G is critical if G−e is imperfect. We would like to decide whether G−e is still “almost perfect” or already “very imperfect”. Via relaxations of the stable set polytope of a graph, we define two
superclasses of perfect graphs: rank-perfect and weakly rank-perfect graphs. Membership in those two classes indicates how
far an imperfect graph is away from being perfect. We study the cases, when a critical edge is removed from the line graph
of a bipartite graph or from the complement of such a graph. 相似文献
8.
This paper presents the importance and usage of natural zeolites, which was recently recognized in the industry. Therefore, the grinding properties of natural zeolite were studied with the emphasis on a kinetic study in a ball mill. The experimental mill employed was laboratory sized, 200 mm diameter, 191 mm length, providing a total mill volume of 6000 cm3, with a total mass of 5.62 kg of steel balls of 25 mm diameter with a charge of 20% of the mill volume and with a rotation speed of 76 rpm. The breakage parameters were determined by using single sized feed fractions of ?850+600 μm, ?600+425 μm, and ?425+300 μm for the zeolite samples. The Si (specific rate of breakage) and Bi, j (primary breakage distribution) values were obtained for those feed size fractions in order to predict the product size distributions by simulation for comparison to the experimental data. From the experimental results, Si values increased as the feed sizes became coarser, i.e., the highest Si value was 0.85 min?1 for ?850+600 μm, while the lowest Si value was 0.65 min?1 for ?425+300 μm feed ground in the mill. The Bi, j values obtained for the zeolite sample were γ=0.84, ?=0.61, and β=4.25. The breakage parameters obtained showed that the zeolite is broken faster than quartz and slower than calcite and barite in terms of the aT values reported previously at the same experimental conditions. The simulations of the product size distributions of zeolite were in good agreement with the experimental data using a standard ball mill simulation program. The slowing‐down effect was also seen in the mill after 4 min. of grinding. 相似文献
9.
Xuding Zhu 《Journal of Graph Theory》2005,48(3):186-209
For 1 ≤ d ≤ k, let Kk/d be the graph with vertices 0, 1, …, k ? 1, in which i ~j if d ≤ |i ? j| ≤ k ? d. The circular chromatic number χc(G) of a graph G is the minimum of those k/d for which G admits a homomorphism to Kk/d. The circular clique number ωc(G) of G is the maximum of those k/d for which Kk/d admits a homomorphism to G. A graph G is circular perfect if for every induced subgraph H of G, we have χc(H) = ωc(H). In this paper, we prove that if G is circular perfect then for every vertex x of G, NG[x] is a perfect graph. Conversely, we prove that if for every vertex x of G, NG[x] is a perfect graph and G ? N[x] is a bipartite graph with no induced P5 (the path with five vertices), then G is a circular perfect graph. In a companion paper, we apply the main result of this paper to prove an analog of Haj?os theorem for circular chromatic number for k/d ≥ 3. Namely, we shall design a few graph operations and prove that for any k/d ≥ 3, starting from the graph Kk/d, one can construct all graphs of circular chromatic number at least k/d by repeatedly applying these graph operations. © 2005 Wiley Periodicals, Inc. J Graph Theory 48: 186–209, 2005 相似文献
10.
We provide a rigorous derivation of an asymptotic formula for perturbations in the eigenvalues caused by the presence of a finite number of inhomogeneities of small diameter with conductivity different from the background conductivity. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献