This paper presents an interpretation in the Bond Graph domain of the Energy Shaping and Interconnection and Damping Assignment control methods, developed for the well-known Port-Controlled Hamiltonian Systems with Dissipation. In order to have a stable equilibrium at a prespecified state, the energy function is modified by adding storage elements to the BG such that the closedloop system energ...

The bond ΛΛ energy ∆B ΛΛ in ΛΛ hypernuclei is obtained from a G-matrix calculation which includes the coupling between the ΛΛ, ΞN and ΣΣ channels, as well as the effect of Pauli blocking to all orders. The Nijmegen NSC97e model is used as bare baryon-baryon interaction in the strangeness S = −2 sector. The ΛΛ-ΞN coupling increases substantially the bond energy with respect to the uncoupled ΛΛ c...

The ΛΛ bond energy ∆B ΛΛ in ΛΛ hypernuclei is obtained from a G-matrix calculation which includes the coupling between the ΛΛ, ΞN and ΣΣ channels, as well as the effect of Pauli blocking to all orders. The Nijmegen NSC97e model is used as bare baryon-baryon interaction in the strangeness S = −2 sector. The ΛΛ-ΞN coupling increases substantially the bond energy with respect to the uncoupled ΛΛ c...

Efficient energy transduction is one driver of evolution; and thus understanding biomolecular energy transduction is crucial to understanding living organisms. As an energy-orientated modelling methodology, bond graphs provide a useful approach to describing and modelling the efficiency of living systems. This paper gives some new results on the efficiency of metabolism based on bond graph mode...

Proteins are large and complex molecular machines. In order to perform their function, most of them need energy, e.g. either in the form of a photon, as in the case of the visual pigment rhodopsin, or through the breaking of a chemical bond, as in the presence of adenosine triphosphate (ATP). Such energy, in turn, has to be transmitted to specific locations, often several tens of A away from wh...

The chemical bond arises from a redistribution of electronic charge when atoms are brought in close proximity. The bond in a solid results from the superposition of charge densities of all atoms in the system. In an atom all electrons reside in their ground states at equilibrium. Only a few low lying excited states are typically accessed. The chemical bond in the solid consists of excited elect...

We could show by means of dispersion-corrected DFT calculations that the interaction energy in protic ionic liquids can be dissected into Coulomb interaction, hydrogen bonding and dispersion interaction. The H-bond energy as well as the dispersion energy can be quantified to be 50 kJ mol(-1) each representing ten percent of the overall interaction energy. The dispersion interaction could be dis...

In order to understand the physics behind the surface properties and nano-scale phenomena, we are motivated first to investigate the inner bond strengths as well as the effect of number of neighboring atoms and their relative distance in addition to space positions (crystallography). Therefore, in order to study the effect of the nature of metallic bond on their physico-chemical properties, we ...

In this paper we examine a series of hydrocarbons with structural features which cause a weakening of the C-H bond. We use theoretical calculations to explore whether the carbon-centered radicals R(*) which are created after breaking the bond can be stabilized enough so that they resist the addition of molecular oxygen, i.e. where the reaction R(*) + O(2) --> ROO(*) becomes energetically unfavo...

Self-consistent generalized valence bond (GVB) and configuration-interaction calculations have been performed for a cluster model of the neutral vacancy in silicon. Three low-lying states ('E, 'T„sA2) are found to possess one electron in dangling-bond orbitals on each of the four silicon atoms around the defect. Of these three covalent states, the 'E is found to be the ground state with the exc...