We construct a Hamiltonian for a single domain protein where the contact enthalpy and the chain entropy decrease linearly with the number of native contacts. The hydration effect upon protein unfolding is included by modeling water as ideal dipoles that are ordered around the unfolded surfaces, where the influence of these surfaces, covered with an "ice-like" shell of water, is represented by a...

Thermodynamics dictates that the specific heat of a system is strictly non-negative. However, in finite classical systems there are well-known theoretical and experimental cases where this rule is violated, in particular finite atomic clusters. Here, we show for the first time that negative heat capacity can also occur in finite quantum systems. The physical scenario on which this effect might ...

The limits to sustained energy intake (SusEI) are important because they determine the ceiling restricting all the competing physiological processes. A recent hypothesis is that SusEI is constrained by the capacity to dissipate heat. However some previous data for Swiss mice are inconsistent with this hypothesis. To examine the role of limits to heat dissipation on SusEI, the body temperature, ...

Modelling of building heat transfer needs two basic material characteristics: heat conduction factor and thermal capacity. Under some simplifications these two factors can be determined from a rather simple equipment, generating heat from one of two aluminium plates into the material sample and recording temperature on the contacts between the sample and the plates. However, the numerical evalu...

In rotaxane 1, two co-conformations are populated in CDCl(3) at temperatures between 250 and 330 K. The thermodynamic parameters show strong enthalpy-entropy compensation, and a non-negligible heat capacity difference between the two forms.

[no abstract available]

In this paper, we have used density functional perturbation theory (DFPT) and Pseudo-potential method to calculate the phonon spectrum, phonon density of states (DOS), specific heat capacity and mechanical properties of (5,5) armchair and (9,0) zigzag Single Wall Carbon Nanotubes (SWCNTs). Our calculations show that Young’s modulusfor (5,5) and (9,0) nanotubesare higher than 1TPa. We have also ...