Self-consistent-field modeling of complex molecules with united atom detail in inhomogeneous systems. Cyclic and branched foreign molecules in dimyristoylphosphatidylcholine membranes

1999 ◽  
Vol 110 (13) ◽  
pp. 6560-6579 ◽  
Author(s):  
L. A. Meijer ◽  
F. A. M. Leermakers ◽  
J. Lyklema
Keyword(s):  
Complex Molecules ◽  
Inhomogeneous Systems ◽  
Field Modeling ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Capillary Adhesion in the Limit of Saturation:  Thermodynamics, Self-Consistent Field Modeling and Experiment†

Langmuir ◽  
2008 ◽  
Vol 24 (4) ◽  
pp. 1308-1317 ◽  
Author(s):  
Joris Sprakel ◽  
Nicolaas A. M. Besseling ◽  
Martien A. Cohen Stuart ◽  
Frans A. M. Leermakers
Keyword(s):  
Capillary Adhesion ◽  
Field Modeling ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

scholarly journals Mechanical Unfolding of a Homopolymer Globule Studied by Self-Consistent Field Modeling

2009 ◽  
Vol 42 (14) ◽  
pp. 5360-5371 ◽  
Author(s):  
Alexey A. Polotsky ◽  
Marat I. Charlaganov ◽  
Frans A. M. Leermakers ◽  
Mohamed Daoud ◽  
Oleg V. Borisov ◽  
...  
Keyword(s):  
Field Modeling ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

scholarly journals Self-Consistent Field Modeling of Pulling a Test-Chain away from or Pushing It into a Polymer Adsorption Layer

Polymers ◽  
2020 ◽  
Vol 12 (8) ◽  
pp. 1684 ◽  
Author(s):  
Fransicus A.M. Leermakers
Keyword(s):  
Adsorption Layer ◽  
Local Density ◽  
Polymer Concentration ◽  
Critical Force ◽  
Average Chain Length ◽  
Single Chain ◽  
Field Modeling ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

We consider single chain force measurements to unravel characteristics of polymers at interfaces and to determine parameters that control adsorption or probe layer characteristics that are difficult to access otherwise. The idea is to have at the tip of an atomic force microscope (AFM), a probe chain and measure its behaviour near interfaces by pushing it to, or pulling it away from it. The self-consistent field modeling of this reveals that in the pulling mode—i.e., when the chain has an affinity for the surface—a typically inhomogeneous flower-like conformation forms with an adsorbed ’pancake’ and a stretched stem (tether) from the surface to the tip of the AFM. When about half the segments is in the tether it snaps loose in a first-order like fashion. The critical distance of the end-point from the surface and the critical force are experimentally accessible. Details of this transition depend on the surrounding of the test chain. Inversely, and this opens up many possibilities, the test chain reports about its surroundings. Our focus is on the classical case of homopolymers at interfaces. Pulling experiments may reveal the adsorption strength, the (average) chain length and/or the polymer concentration of the freely dispersed/adsorbed polymers. When the test-chain is non-adsorbing we envision that pushing this test-chain into the adsorption layer reports about various layer characteristics such as the layer thickness and (local) density. Moreover, when the test-chain has a length longer than the entanglement length, we can imagine that non-trivial dynamical properties of loops and tails may be scrutinised.

scholarly journals Integration Methods where Force is Obtained from the Smoothed Gravitational Field

1971 ◽  
Vol 10 ◽  
pp. 168-178
Author(s):  
Frank Hohl
Keyword(s):  
Gravitational Field ◽  
Body Problem ◽  
Stellar Dynamics ◽  
Coulomb Force ◽  
Stellar Systems ◽  
Inhomogeneous Systems ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Simultaneous Influence

Many problems in stellar dynamics involve phenomena occurring in inhomogeneous systems in which the interaction between the particles is fully described by a self-consistent field operating in phase space. Because the particles interact by means of the long-range Coulomb force, each particle is under the simultaneous influence of a large number of other particles. Therefore, stellar systems will respond to any perturbation in a collective manner, and a study of such systems is concerned essentially with the N-body problem.

Self-consistent field for molecular hydrogen

1938 ◽  
Vol 34 (2) ◽  
pp. 204-212 ◽  
Author(s):  
C. A. Coulson
Keyword(s):  
Ground State ◽  
Hydrogen Molecule ◽  
Wave Functions ◽  
Complex Molecules ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Analytical Expansion ◽  
Spheroidal Coordinates ◽  
Accurate Wave

The method of the self-consistent field is applied to a discussion of the energy and wave-functions of the ground state of the hydrogen molecule; an analytical expansion of the wave-function is given in terms of spheroidal coordinates, and the distribution of charge is determined. Two simpler, though less accurate, wave-functions for the molecule are also included, and the possibility of using the method for more complex molecules is discussed.

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