External fields in conceptual density functional theory
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26978
Abstract: The necessity of the recent incorporation of new external variables in the context of conceptual DFT (CDFT) is discussed based on the ever‐increasing portfolio of experimental reaction conditions in the endeavor of experimentalists to synthesize… read more here.
Keywords: chemistry; density functional; external fields; fields conceptual ... See more keywords
Nonlinear optical properties of triple δ-doped quantum wells: The impact of the applied external fields
Sign Up to like & getrecommendations! Published in 2019 at "Optik"
DOI: 10.1016/j.ijleo.2018.11.120
Abstract: Abstract In the present paper, we theoretically investigate the effect of applied external fields, such as electric, magnetic, and intense terahertz laser fields on the optical absorption and the relative refractive index change coefficients of… read more here.
Keywords: triple doped; external fields; doped quantum; nonlinear optical ... See more keywords
Effect of co-existing external fields on a binary spinodal system: A phase-field study
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2019.04.025
Abstract: Abstract We develop a phase-field model, integrating both micromagnetic and microelastic approaches. The model can capture the impact of eigen strain, applied stress and elastic inhomogeneity on the microstructure evolution in presence of an externally… read more here.
Keywords: field; effect existing; external fields; phase field ... See more keywords
Resonance of scroll rings with periodic external fields in excitable media.
Sign Up to like & getrecommendations! Published in 2018 at "Chaos"
DOI: 10.1063/1.5022745
Abstract: By direct numerical simulations of a chemical reaction-diffusion system coupled to a periodic external AC electric field with frequency equal to double frequency of the scroll wave rotation, we find that scroll rings resonate with… read more here.
Keywords: resonance scroll; periodic external; scroll; scroll rings ... See more keywords
An introduction to classical monodromy: Applications to molecules in external fields
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Mathematical Physics"
DOI: 10.1063/5.0079354
Abstract: An integrable Hamiltonian system presents monodromy if the action-angle variables cannot be defined globally. As a prototype of classical monodromy with azimuthal symmetry, we consider a linear molecule interacting with external fields and explore the… read more here.
Keywords: monodromy; applications molecules; external fields; classical monodromy ... See more keywords
Brownian dynamics simulations of hard rods in external fields and with contact interactions.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review. E"
DOI: 10.1103/physreve.106.054606
Abstract: We propose a simulation method for Brownian dynamics of hard rods in one dimension for arbitrary continuous external force fields. It is an event-driven procedure based on the fragmentation and mergers of clusters formed by… read more here.
Keywords: dynamics simulations; brownian dynamics; rods external; external fields ... See more keywords
Simulating Ising and n-State Planar Potts Models and External Fields with Nonequilibrium Condensates.
Sign Up to like & getrecommendations! Published in 2018 at "Physical review letters"
DOI: 10.1103/physrevlett.121.235302
Abstract: Classical spin models with discrete or continuous degrees of freedom arise in many studies of complex physical systems. A wide class of hard real-life optimization problems can be formulated as a minimization of a spin… read more here.
Keywords: state planar; potts models; planar potts; ising state ... See more keywords
Flowing Active Liquids in a Pipe: Hysteretic Response of Polar Flocks to External Fields
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review X"
DOI: 10.1103/physrevx.8.021037
Abstract: We investigate the response of colloidal flocks to external fields. We first show that individual colloidal rollers align with external flows as would a classical spin with magnetic fields. Assembling polar active liquids from colloidal… read more here.
Keywords: response; hysteretic response; flocks external; flowing active ... See more keywords
External fields for the fabrication of highly mineralized hierarchical architectures
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Materials Research"
DOI: 10.1557/jmr.2018.304
Abstract: Despite lower hardness, stiffness, and resistance to harsh environments, heavy metallic parts and soft polymer-based composites are often preferred to ceramics because they offer higher resilience. By contrast, highly mineralized biomaterials combine these properties through… read more here.
Keywords: fabrication highly; external fields; mineralized hierarchical; hierarchical architectures ... See more keywords