Comptes Rendus. Chimie最新文献

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An adaptive least-squares algorithm for the elliptic Monge–Ampère equation 椭圆型monge - ampantere方程的自适应最小二乘算法
4区 化学
Comptes Rendus. Chimie Pub Date : 2023-10-16 DOI: 10.5802/crmeca.222
Alexandre Caboussat, Dimitrios Gourzoulidis, Marco Picasso
{"title":"An adaptive least-squares algorithm for the elliptic Monge–Ampère equation","authors":"Alexandre Caboussat, Dimitrios Gourzoulidis, Marco Picasso","doi":"10.5802/crmeca.222","DOIUrl":"https://doi.org/10.5802/crmeca.222","url":null,"abstract":"We address the numerical solution of the Dirichlet problem for the two-dimensional elliptic Monge–Ampère equation using a least-squares/relaxation approach. The relaxation algorithm allows the decoupling of the differential operators from the nonlinearities of the equation, within a splitting approach. The approximation relies on mixed low order finite element methods with regularization techniques. In order to account for data singularities in non-smooth cases, we introduce an adaptive mesh refinement technique. The error indicator is based an independent formulation of the Monge–Ampère equation under divergence form, which allows to explicit a residual term. We show that the error is bounded from above by an a posteriori error indicator plus an extra term that remains to be estimated. This indicator is then used within the existing least-squares framework. The results of numerical experiments support the convergence of our relaxation method to a convex classical solution, if such a solution exists. Otherwise they support convergence to a generalized solution in a least-squares sense. Adaptive mesh refinement proves to be efficient, robust, and accurate to tackle test cases with singularities.","PeriodicalId":10566,"journal":{"name":"Comptes Rendus. Chimie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136113403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nonlinear compressive reduced basis approximation for PDE’s PDE的非线性压缩降基近似
4区 化学
Comptes Rendus. Chimie Pub Date : 2023-09-28 DOI: 10.5802/crmeca.191
Albert Cohen, Charbel Farhat, Yvon Maday, Agustin Somacal
{"title":"Nonlinear compressive reduced basis approximation for PDE’s","authors":"Albert Cohen, Charbel Farhat, Yvon Maday, Agustin Somacal","doi":"10.5802/crmeca.191","DOIUrl":"https://doi.org/10.5802/crmeca.191","url":null,"abstract":"Linear model reduction techniques design offline low-dimensional subspaces that are tailored to the approximation of solutions to a parameterized partial differential equation, for the purpose of fast online numerical simulations. These methods, such as the Proper Orthogonal Decomposition (POD) or Reduced Basis (RB) methods, are very effective when the family of solutions has fast-decaying Karhunen–Loève eigenvalues or Kolmogorov widths, reflecting the approximability by finite-dimensional linear spaces. On the other hand, they become ineffective when these quantities have a slow decay, in particular for families of solutions to hyperbolic transport equations with parameter-dependent shock positions. The objective of this work is to explore the ability of nonlinear model reduction to circumvent this particular situation. To this end, we first describe particular notions of nonlinear widths that have a substantially faster decay for the aforementioned families. Then, we discuss a systematic approach for achieving better performance via a nonlinear reconstruction from the first coordinates of a linear reduced model approximation, thus allowing us to stay in the same “classical” framework of projection-based model reduction. We analyze the approach and report on its performance for a simple and yet instructive univariate test case.","PeriodicalId":10566,"journal":{"name":"Comptes Rendus. Chimie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135344216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
A second-order resolvent formulation for the analysis of turbulent flow structures 紊流结构分析的二阶解析公式
4区 化学
Comptes Rendus. Chimie Pub Date : 2023-09-26 DOI: 10.5802/crmeca.193
Quentin Chevalier, Lesshafft Lutz, André V. G. Cavalieri
{"title":"A second-order resolvent formulation for the analysis of turbulent flow structures","authors":"Quentin Chevalier, Lesshafft Lutz, André V. G. Cavalieri","doi":"10.5802/crmeca.193","DOIUrl":"https://doi.org/10.5802/crmeca.193","url":null,"abstract":"An attempt to improve the accuracy of resolvent-based predictions by including velocity correlations in the linear model is developed here. Closure assumptions for unresolved nonlinearities are thus pushed back to a higher order. Turbulent channel flow is considered as a test case: response and forcing modes obtained from singular value decomposition of the new resolvent model are compared to Spectral Proper Orthogonal Decomposition (SPOD) modes extracted from a Direct Numerical Simulation (DNS) database. The performance of the approach is also measured against previous resolvent-based models. The new model does not yield significant global improvement, but does improve predictions in some regions. Further work on the method should target the linear modeling of the velocity-pressure gradient correlation tensor.","PeriodicalId":10566,"journal":{"name":"Comptes Rendus. Chimie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134960227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
L’avènement de la science météorologique du XVII e au XIX e siècle 17世纪到19世纪气象学的兴起
4区 化学
Comptes Rendus. Chimie Pub Date : 2023-09-15 DOI: 10.5802/crmeca.213
Denis Beaudouin
{"title":"L’avènement de la science météorologique du XVII e au XIX e siècle","authors":"Denis Beaudouin","doi":"10.5802/crmeca.213","DOIUrl":"https://doi.org/10.5802/crmeca.213","url":null,"abstract":"Since ancient times, natural phenomena have been observed and described, the first stage in the development of knowledge, often involving supposedly supernatural forces. It was in Europe in the 17th century that a scientific approach was developed, which became meteorology in the 19th century. A scientific approach required instruments, and it was in Florence in 1608 that the first thermometer was manufactured. Fifty years later, Ismaël Boulliau, the first French scientist to receive a thermometer from Florence, followed an approach based on observation and recording. This article sets out to show how, over the course of two centuries, a truly scientific meteorology emerged at the dawn of the twentieth century.","PeriodicalId":10566,"journal":{"name":"Comptes Rendus. Chimie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135395999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Préface en hommage à Ismaël Boulliau (1605–1694) 向伊斯梅尔·布利奥致敬的序言(1605 - 1694)
4区 化学
Comptes Rendus. Chimie Pub Date : 2023-09-15 DOI: 10.5802/crmeca.211
Bruno Chanetz
{"title":"Préface en hommage à Ismaël Boulliau (1605–1694)","authors":"Bruno Chanetz","doi":"10.5802/crmeca.211","DOIUrl":"https://doi.org/10.5802/crmeca.211","url":null,"abstract":"","PeriodicalId":10566,"journal":{"name":"Comptes Rendus. Chimie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135395865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Quelques réflexions pour conclure 总结一些想法
4区 化学
Comptes Rendus. Chimie Pub Date : 2023-09-15 DOI: 10.5802/crmeca.210
Pierre Léna
{"title":"Quelques réflexions pour conclure","authors":"Pierre Léna","doi":"10.5802/crmeca.210","DOIUrl":"https://doi.org/10.5802/crmeca.210","url":null,"abstract":"","PeriodicalId":10566,"journal":{"name":"Comptes Rendus. Chimie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135395158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
L’œuvre scientifique d’Ismaël Boulliau ismael Boulliau的科学工作
4区 化学
Comptes Rendus. Chimie Pub Date : 2023-09-15 DOI: 10.5802/crmeca.207
Marie-Claire Coët
{"title":"L’œuvre scientifique d’Ismaël Boulliau","authors":"Marie-Claire Coët","doi":"10.5802/crmeca.207","DOIUrl":"https://doi.org/10.5802/crmeca.207","url":null,"abstract":"This article presents the scientific work of Ismaël Boulliau who was, at the same time and in turn, mathematician, astronomer, astrologer, meteorologist, but above all a scientific intermediary who exchanged an important correspondence with the greatest scholars and intellectuals of his time. It is mainly based on the thesis of the Dutch Henricus Johannes Maria Nellen translated 14 years later into French, on the occasion of the 3 rd centenary of the death of Ismaël Boulliau.","PeriodicalId":10566,"journal":{"name":"Comptes Rendus. Chimie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135395172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Volatile organic compound emissions from almond shoots during spring—dissociation between reproductive and vegetative organs 春季杏仁芽挥发性有机化合物的排放——生殖器官和营养器官的分离
IF 1.6 4区 化学
Comptes Rendus. Chimie Pub Date : 2023-08-22 DOI: 10.5802/crchim.241
Anjélica Leconte, N. Barthès, B. Buatois, Eugénie Coutagne, H. Duval, P. Lucas, M. Staudt
{"title":"Volatile organic compound emissions from almond shoots during spring—dissociation between reproductive and vegetative organs","authors":"Anjélica Leconte, N. Barthès, B. Buatois, Eugénie Coutagne, H. Duval, P. Lucas, M. Staudt","doi":"10.5802/crchim.241","DOIUrl":"https://doi.org/10.5802/crchim.241","url":null,"abstract":"","PeriodicalId":10566,"journal":{"name":"Comptes Rendus. Chimie","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2023-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47898004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis of acrylonitrile functionalized hydroxymethylfurfural derivatives with Mg(OH) 2 under solvent-free conditions 无溶剂条件下用Mg(OH) 2合成丙烯腈功能化羟甲基糠醛衍生物
IF 1.6 4区 化学
Comptes Rendus. Chimie Pub Date : 2023-08-22 DOI: 10.5802/crchim.239
Sonia Mancipe, Valentina Coca, J. Castillo, H. Rojas, Maria H. Brijaldo, Claudia Castañeda, José Jobanny Martínez, G. P. Romanelli
{"title":"Synthesis of acrylonitrile functionalized hydroxymethylfurfural derivatives with Mg(OH) 2 under solvent-free conditions","authors":"Sonia Mancipe, Valentina Coca, J. Castillo, H. Rojas, Maria H. Brijaldo, Claudia Castañeda, José Jobanny Martínez, G. P. Romanelli","doi":"10.5802/crchim.239","DOIUrl":"https://doi.org/10.5802/crchim.239","url":null,"abstract":"","PeriodicalId":10566,"journal":{"name":"Comptes Rendus. Chimie","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2023-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41320953","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Numerical approximations of thin structure deformations 薄结构变形的数值近似
4区 化学
Comptes Rendus. Chimie Pub Date : 2023-08-21 DOI: 10.5802/crmeca.201
Andrea Bonito, Diane Guignard, Angelique Morvant
{"title":"Numerical approximations of thin structure deformations","authors":"Andrea Bonito, Diane Guignard, Angelique Morvant","doi":"10.5802/crmeca.201","DOIUrl":"https://doi.org/10.5802/crmeca.201","url":null,"abstract":"We review different models for thin structures using bending as principal mechanism to undergo large deformations. Each model consists of minimizing a fourth order energy, potentially subject to a nonconvex constraint. Equilibrium deformations are approximated using local discontinuous Galerkin finite elements. The discrete energies relies on a discrete Hessian operator defined on discontinuous functions with better approximation properties than the piecewise Hessian. Discrete gradient flows are used to drive the minimization process. They are chosen for their robustness and ability to preserve the nonconvex constraint. Several numerical experiments are presented to showcase the variety of shapes achievable with these models.","PeriodicalId":10566,"journal":{"name":"Comptes Rendus. Chimie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135817897","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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