Sökning: "implicit modeling."

Visar resultat 11 - 15 av 44 avhandlingar innehållade orden implicit modeling..

  1. 11. Double Layer Forces: the Role of Molecular Solvents

    Författare :Luis Pegado; Fysikalisk kemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Dielectric continuum model; molecular solvent; Stockmayer fluid; electrical double layer; ion-ion correlations; Monte Carlo simulations; thermodynamic modeling; pressure curves; interaction free energy; packing effects;

    Sammanfattning : The dielectric continuum model has rightfully been and continues to be a major workhorse for theory and modelling in Surface and Colloid Chemistry. Due to the implicit description of water, entering only as a scaling constant for charge-charge interactions, one would not expect it to work for short distances. LÄS MER

  3. 12. Development of Zonal Models for Analysis of Engine Knock

    Författare :Shahrokh Hajireza; Värmeöverföring; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; homogeneous autoignition; engine knock; Zonal modeling; SI engine; hot-spot autoignition; exothermic centers; wall heat transfer; application of detailed chemical kinetic mechanism of n-heptane and iso-octane; Motors and propulsion systems; Motorer; framdrivningssystem;

    Sammanfattning : Autoignition in SI engines is an abnormal combustion mode and may lead to engine knock which is an undesired phenomenon in SI engines. It may cause damage and it is a source of noise in engines. Knock limits the compression ratio of the engine and a low compression ratio means low fuel conversion efficiency of the engine. LÄS MER

  4. 13. Continuum modelling of the mechanical response of paper-based materials

    Författare :Eric Borgqvist; Hållfasthetslära; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; paperboard; constitutive modeling; anistropy; finte deformations; plasticity; damage; continuum mechanics;

    Sammanfattning : Continuum based elasto-plastic-damage models for paperboard have been established in this work. The thesis begins with an introductory section that describes the mechanical properties of paperboard and some of the converting processes during forming of a package. LÄS MER

  5. 14. A multivariate approach to characterization of drug-like molecules, proteins and the interactions between them

    Författare :Anton Lindström; Anna Linusson; Fredrik Almqvist; Anders Karlén; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; binding affinity; prediction; CAMD; principal component analysis PCA ; partial least squares projections to latent structures PLS ; MM-GB-SA; MM-PB-SA; docking; geometry optimization; protein secondary structure characterization; implicit solvent; generalized-Born; Poisson-Boltzmann; molecular mechanics MM ; drug discovery; bindningsaffinitet; prediktion; dockning; geometrioptimering; sekundärstruktur; matematisk vattenmodel; generalized-Born; Poisson-Boltzmann; molekylmekanik MM ; läkemedelsdesign; principal komponent analys PCA ; partial least squares projections to latent structures PLS ; MM-GB-SA; MM-PB-SA; Other chemistry; Övrig kemi;

    Sammanfattning : En sjukdom kan många gånger härledas till en kaskadereaktion mellan proteiner, co-faktorer och substrat. Denna kaskadreaktion blir många gånger målet för att behandla sjukdomen med läkemedel. För att designa nya läkemedelsmoleyler används vanligen datorbaserade verktyg. LÄS MER

  7. 15. Ghosts and machines : regularized variational methods for interactive simulations of multibodies with dry frictional contacts

    Författare :Claude Lacoursière; Bo Kåggström; Ander Klarbring; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Discrete mechanics; Variational method; Contact problems; Impacts; Least action principle; Saddle point problems; Lagrange Multipliers; Constrained systems; Multibody Systems; Numerical regularization; Constraint realization; Constraint stabilization; Dry friction; Differential Algebraic Equations; Nonsmooth problems; Linear Complementarity; Quaternion algebra; Numerical linear algebra; Physics modeling; Interactive simulation; Numerical stability; Rigid body dynamics; Dissipative systems; Computational physics; Beräkningsfysik;

    Sammanfattning : A time-discrete formulation of the variational principle of mechanics is used to provide a consistent theoretical framework for the construction and analysis of low order integration methods. These are applied to mechanical systems subject to mixed constraints and dry frictional contacts and impacts---machines. LÄS MER