The influence of pulse duration on the stress levels in ablation of ceramics: A finite element study

We present a finite element model to investigate the dynamic thermal and mechanical response of ceramic materials to pulsed infrared radiation. The model was applied to the specific problem of determining the influence of the pulse duration on the stress levels reached in human dental enamel irradiated by a CO₂ laser at 10.6 μm with pulse durations between 0.1 and 100 μs and sub-ablative fluence. Our results indicate that short pulses with durations much larger than the characteristic acoustic relaxation time of the material can still cause high stress transients at the irradiated site, and indicate that pulse durations of the order of 10 μs may be more adequate both for enamel surface modification and for ablation than pulse durations up to 1 μs. The model presented here can easily be modified to investigate the dynamic response of ceramic materials to mid-infrared radiation and help determine optimal pulse durations for specific procedures.     

Magnetic domain wall pinning and coercivity in FePt/MgO and FePt/Pt thin films

FePt thin layers have been epitaxied either on Pt(0 0 1) or on MgO(0 0 1) substrates, and magnetically characterized using extraordinary Hall effect magnetometry and magnetic force microscopy. The coercivity originates in both cases from the pinning of domain walls on structural defects. Whereas the coercivity increases with the FePt layer thickness in FePt/Pt samples, it decreases in FePt/MgO samples. This discrepancy is explained on the basis of structural observations, and of atomistic simulations of magnetic domain wall pinning.     

Contact phase modulation method for acoustic nonlinear parameter measurement in solid

In this work, a new method to measure in contact the nonlinearity parameter beta of solid plates is presented. A high frequency (HF) tone-burst signal of 20 MHz is inserted in the material by a contact-transducer (with a suitable coupling). A low frequency (LF) pulse (2.5 MHz) is applied to the other face, in the opposite direction, so that the nonlinear interaction of the two waves takes place during the back propagation toward the HF transducer. This collinear interaction creates a phase modulation of the HF tone-burst which is proportional to the beta coefficient and the particle velocity of the LF wave. To determine this particle velocity, in time domain, an extended self-reciprocity calibration of the contact LF transducer is used. A numeric phase demodulation is then performed, giving the beta coefficient of the sample. The proposed method is validated by nonlinearity parameter measurements in Fused Silica. The nonlinear parameter of Fused Silica measured is found to be in good agreement with the literature, and specially the negative sign of this parameter.     

Fusion around the barrier for 7Li+12C

Fusion cross-sections for the ⁷Li + ¹²C reaction have been measured at energies above the Coulomb barrier by the direct detection of evaporation residues. The heavy evaporation residues with energies below 3 MeV could not be separated out from the α-particles in the spectrum and hence their contribution was estimated using statistical model calculations. The present work indicates that suppression of fusion cross-sections due to the breakup of ⁷Li may not be significant for ⁷Li + ¹²C reaction at energies around the barrier.     

FAMBE-pH: a fast and accurate method to compute the total solvation free energies of proteins

A fast and accurate method to compute the total solvation free energies of proteins as a function of pH is presented. The method makes use of a combination of approaches, some of which have already appeared in the literature; (i) the Poisson equation is solved with an optimized fast adaptive multigrid boundary element (FAMBE) method; (ii) the electrostatic free energies of the ionizable sites are calculated for their neutral and charged states by using a detailed model of atomic charges; (iii) a set of optimal atomic radii is used to define a precise dielectric surface interface; (iv) a multilevel adaptive tessellation of this dielectric surface interface is achieved by using multisized boundary elements; and (v) 1:1 salt effects are included. The equilibrium proton binding/release is calculated with the Tanford-Schellman integral if the proteins contain more than approximately 20-25 ionizable groups; for a smaller number of ionizable groups, the ionization partition function is calculated directly. The FAMBE method is tested as a function of pH (FAMBE-pH) with three proteins, namely, bovine pancreatic trypsin inhibitor (BPTI), hen egg white lysozyme (HEWL), and bovine pancreatic ribonuclease A (RNaseA). The results are (a) the FAMBE-pH method reproduces the observed pK a's of the ionizable groups of these proteins within an average absolute value of 0.4 p K units and a maximum error of 1.2 p K units and (b) comparison of the calculated total pH-dependent solvation free energy for BPTI, between the exact calculation of the ionization partition function and the Tanford-Schellman integral method, shows agreement within 1.2 kcal/mol. These results indicate that calculation of total solvation free energies with the FAMBE-pH method can provide an accurate prediction of protein conformational stability at a given fixed pH and, if coupled with molecular mechanics or molecular dynamics methods, can also be used for more realistic studies of protein folding, unfolding, and dynamics, as a function of pH.