The second derivative of the electronic energy with respect to the compression scaling factor in the XP‐PCM model: Theory and applications to compression response functions of atoms
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26883
Abstract: We present the analytical theory for the second derivative of the electronic energy with respect to the scaling factor of the compression cavity within the eXtreme pressure polarizable continuum model (XP‐PCM) for the study of… read more here.
Keywords: theory; energy; response functions; compression ... See more keywords
Second derivative free sixth order continuation method for solving nonlinear equations with applications
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Mathematical Chemistry"
DOI: 10.1007/s10910-018-0868-7
Abstract: In this paper, we deal with the study of convergence analysis of modified parameter based family of second derivative free continuation method for solving nonlinear equations. We obtain the order of convergence is at least… read more here.
Keywords: derivative free; order; method solving; continuation method ... See more keywords
Selective determination of trace cobalt in zinc electrolytes by second-derivative catalytic polarography
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Central South University"
DOI: 10.1007/s11771-019-3994-x
Abstract: We report herein a highly selective method for directly determining the trace Co2+ in highly concentrated zinc electrolyte. This novel method is based on a second derivative wave of catalytic adsorptive polarography generated by complexing… read more here.
Keywords: co2; mol; second derivative; polarography ... See more keywords
Construction of Implicit–Explicit Second-Derivative BDF Methods
Sign Up to like & getrecommendations! Published in 2018 at "Bulletin of the Iranian Mathematical Society"
DOI: 10.1007/s41980-018-0065-2
Abstract: In many applications, large systems of ordinary differential equations with both stiff and nonstiff parts have to be solved numerically. Implicit–explicit (IMEX) methods are useful for efficiently solving these problems. In this paper, we construct… read more here.
Keywords: construction implicit; implicit explicit; derivative bdf; bdf methods ... See more keywords
Strong stability preserving second derivative diagonally implicit multistage integration methods
Sign Up to like & getrecommendations! Published in 2020 at "Applied Numerical Mathematics"
DOI: 10.1016/j.apnum.2019.11.001
Abstract: Abstract Construction of strong stability preserving second derivative diagonally implicit multistage integration methods (SDIMSIMs) as a subclass of second derivative general linear methods (SGLMs) with and without quadratic stability (QS) has been investigated. Examples of… read more here.
Keywords: preserving second; stability preserving; second derivative; stability ... See more keywords
Construction of L stable second derivative trigonometrically fitted block backward differentiation formula for the solution of oscillatory initial value problems
Sign Up to like & getrecommendations! Published in 2018 at "African Journal of Science, Technology, Innovation and Development"
DOI: 10.1080/20421338.2018.1467859
Abstract: A second derivative trigonometrically fitted block backward differentiation formula (SDTFBBDF) based on the collocation technique is proposed in this paper. The method is specifically considered for the numerical solution of oscillatory problems. The SDTFBBDF which… read more here.
Keywords: second derivative; differentiation formula; backward differentiation;
Development of a Model for Dynamic Recrystallization Consistent with the Second Derivative Criterion
Sign Up to like & getrecommendations! Published in 2017 at "Materials"
DOI: 10.3390/ma10111259
Abstract: Dynamic recrystallization (DRX) processes are widely used in industrial hot working operations, not only to keep the forming forces low but also to control the microstructure and final properties of the workpiece. According to the… read more here.
Keywords: recrystallization; derivative criterion; strain hardening; dynamic recrystallization ... See more keywords