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1.
Florence Drui Emmanuel Franck Philippe Helluy Laurent Navoret 《Comptes Rendus Mecanique》2019,347(3):259-269
The over-relaxation approach is an alternative to the Jin–Xin relaxation method in order to apply the equilibrium source term in a more precise way. This is also a key ingredient of the lattice Boltzmann method for achieving second-order accuracy. In this work, we provide an analysis of the over-relaxation kinetic scheme. We compute its equivalent equation, which is particularly useful for devising stable boundary conditions for the hidden kinetic variables. 相似文献
2.
A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI3. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling. 相似文献
3.
Iodine(III)‐Catalyzed Rearrangements of Imides: A Versatile Route to α,α‐Dialkylated α‐Hydroxy Carboxylamides 下载免费PDF全文
Anna Ulmer Dr. Maciej Stodulski Stefanie V. Kohlhepp Christoph Patzelt Dr. Alexander Pöthig Dr. Wolfgang Bettray Dr. Tanja Gulder 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(4):1444-1448
A tertiary hydroxy group α to a carboxyl moiety comprises a key structural motif in many bioactive substances. With the herein presented metal‐free rearrangement of imides triggered by hypervalent λ3‐iodane, an easy and selective way to gain access to such a compound class, namely α,α‐disubstituted‐α‐hydroxy carboxylamides, was established. Their additional methylene bromide side chain constitutes a useful handle for rapid diversification, as demonstrated by a series of further functionalizations. Moreover, the in situ formation of an iodine(III) species under the reaction conditions was proven. Our findings clearly corroborate that hypervalent λ3‐benziodoxolones are involved in these organocatalytic reactions. 相似文献
4.
J.M. Roth T.G. Ulmer N.W. Spellmeyer S. Constantine M.E. Grein 《Photonics Technology Letters, IEEE》2004,16(9):2009-2011
We demonstrate a novel 40-GHz mode-locked fiber laser that utilizes a single active device to provide both gain and mode-locking. The laser produces pulses as short as 2.2 ps, is tunable over a 27-nm band centered at 1553 nm, and exhibits long-term stability without cavity-length feedback control. The pulse train at 1556 nm was used in a 40-Gb/s transmission experiment over 45 km with a low 0.4-dB power penalty. 相似文献
5.
Investment projects and businesses can be entered or exited at a cost, and the theory of real option teaches us how to find optimal activity levels that should trigger entry or exit. However, in practice, different managers or owners operate under different constraints and might apply different thresholds to the same business. We are interested in the hedging of the risk related to the cost of sub-optimal entry or exit. We introduce a new class of derivative products that can hedge this risk. The pricing of these derivatives involves the joint law of a Brownian excursion and its supremum, which is calculated thanks to Bessel processes-related distribution laws. 相似文献
6.
In this Note, we propose a finite element method with Lagrange multipliers in order to approximate contact problems with friction. The discretized normal and tangential constraints at the candidate contact interface are expressed by using continuous piecewise linear Lagrange multipliers in the saddle-point formulation. An optimal error estimate is established and several numerical studies corresponding to this choice of the discretized normal and tangential constraints are achieved. To cite this article: L. Baillet, T. Sassi, C. R. Acad. Sci. Paris, Ser. I 334 (2002) 917–922. 相似文献
7.
Laurent Gosse. 《Mathematics of Computation》2002,71(238):553-582
This paper investigates the behavior of numerical schemes for nonlinear conservation laws with source terms. We concentrate on two significant examples: relaxation approximations and genuinely nonhomogeneous scalar laws. The main tool in our analysis is the extensive use of weak limits and nonconservative products which allow us to describe accurately the operations achieved in practice when using Riemann-based numerical schemes. Some illustrative and relevant computational results are provided.
8.
If the Riemann–Christoffel tensor associated with a field of class of positive definite symmetric matrices of order three vanishes in a connected and simply connected open subset , then this field is the metric tensor field associated with a deformation of class of the set , uniquely determined up to isometries of . We establish here that the mapping defined in this fashion is continuous, for ad hoc metrizable topologies. To cite this article: P.G. Ciarlet, F. Laurent, C. R. Acad. Sci. Paris, Ser. I 335 (2002) 489–493. 相似文献
9.
A variational approach is proposed to study some properties of the adiabatic Holstein–Hubbard model which describes an assembly of fermionic charges interacting with a static atomic lattice. The sum of the electronic energy and the lattice elastic energy is proved to have minima with a many-polaron structure in a certain domain of model parameters. Our analytical work consists in expanding these energy minima from the zero electronic transfer limit which remarkably holds for a finite amplitude of the onsite Hubbard repulsion and for an unbounded lattice size. 相似文献
10.
We prove that the generalized random walks associated to a root system R in and a nonnegative multiplicity function k defined on R, converge in distribution (if suitably normalized) to a Markov process with càdlàg trajectories and infinitesimal generator a differential-difference operator on which generalizes the usual Laplacian. To cite this article: L. Gallardo, L. Godefroy, C. R. Acad. Sci. Paris, Ser. I 338 (2004). 相似文献