Kinetic approach to the cluster liquid-gas transition

The liquid-gas transition in free atomic clusters is investigated theoretically based on simple unimolecular rate theories and assuming sequential evaporations. A kinetic Monte Carlo scheme is used to compute the time-dependent properties of clusters undergoing multiple dissociations, and two possible definitions of the boiling point are proposed, relying on the cluster or gas temperature. This numerical approach is supported by molecular dynamics simulations of clusters made of sodium atoms or C60 molecules, as well as simplified rate equation

Antiferromagnetic spin chain behavior and a transition to 3D magnetic order in Cu(D,L-alanine)2: Roles of H-bonds

We study the spin chain behavior, a transition to 3D magnetic order and the magnitudes of the exchange interactions for the metal-amino acid complex Cu(D,L-alanine)2.H2O, a model compound to investigate exchange couplings supported by chemical paths characteristic of biomolecules. Thermal and magnetic data were obtained as a function of temperature (T) and magnetic field (B0). The magnetic contribution to the specific heat, measured between 0.48 and 30 K, displays above 1.8 K a 1D spin-chain behavior that can be fitted with an intrachain antiferromagnetic (AFM) exchange coupling constant 2J0 = (-2.12 $\pm$ 0.08) cm$^{-1}$, between neighbor coppers at 4.49 {\AA} along chains connected by non-covalent and H-bonds. We also observe a narrow specific heat peak at 0.89 K indicating a phase transition to a 3D magnetically ordered phase. Magnetization curves at fixed T = 2, 4 and 7 K with B0 between 0 and 9 T, and at T between 2 and 300 K with several fixed values of B0 were globally fitted by an intrachain AFM exchange coupling constant 2J0 = (-2.27 $\pm$ 0.02) cm$^{-1}$ and g = 2.091 $\pm$ 0.005. Interchain interactions J1 between coppers in neighbor chains connected through long chemical paths with total length of 9.51 {\AA} are estimated within the range 0.1 < |2J1| < 0.4 cm$^{-1}$, covering the predictions of various approximations. We analyze the magnitudes of 2J0 and 2J1 in terms of the structure of the corresponding chemical paths. The main contribution in supporting the intrachain interaction is assigned to H-bonds while the interchain interactions are supported by paths containing H-bonds and carboxylate bridges, with the role of the H-bonds being predominant. We compare the obtained intrachain coupling with studies of compounds showing similar behavior and discuss the validity of the approximations allowing to calculate the interchain interactions.Comment: 10 pages, 4 figure

Composition-induced structural transitions in mixed rare-gas clusters

The low-energy structures of mixed Ar--Xe and Kr--Xe Lennard-Jones clusters are investigated using a newly developed parallel Monte Carlo minimization algorithm with specific exchange moves between particles or trajectories. Tests on the 13- and 19- atom clusters show a significant improvement over the conventional basin-hopping method, the average search length being reduced by more than one order of magnitude. The method is applied to the more difficult case of the 38-atom cluster, for which the homogeneous clusters have a truncated octahedral shape. It is found that alloys of dissimilar elements (Ar--Xe) favor polytetrahedral geometries over octahedra due to the reduced strain penalty. Conversely, octahedra are even more stable in Kr--Xe alloys than in Kr_38 or Xe_38, and they show a core-surface phase separation behavior. These trends are indeed also observed and further analysed on the 55-atom cluster. Finally, we correlate the relative stability of cubic structures in these clusters to the glassforming character of the bulk mixtures.Comment: 14 pages, 8 figures, 5 tables PRB vol 70, in pres

Evaluation of a microbial muramidase supplementation on growth performance, apparent ileal digestibility, and intestinal histology of broiler chickens

The current study evaluated the effects of different inclusion levels of microbial muramidase (Muramidase 007, DSM Nutritional Products) on gastrointestinal functionality by determination of apparent ileal digestibility (AID) of nutrients, investigation of intestinal histomorphology, and quantification of resulting growth performance. Four maize-wheat-soybean experimental diets were produced without (C) and with different dosages of muramidase: low (L, 25,000 LSU(F)/kg), medium (M, 35,000 LSU(F)/kg), and high (H, 45,000 LSU(F)/kg); diets were fed to broilers for 35 d. At the end of the experiment, AID of ether extract (EE), crude protein (CP), Ca, and P were determined and samples of the mid-jejunum and -ileum were collected for histomorphological observations. Data were subjected to ANOVA analysis using the GLM procedure. Orthogonal polynomial contrasts were used to assess linear and quadratic effects of different levels of the muramidase. At the end of the trial, Muramidase 007 supplementation linearly increased body weight gain and decreased feed conversion ratio (FCR) (P ≤ 0.05). Adding the muramidase to broiler diets also linearly increased the European poultry efficiency factor (P ≤ 0.05). Inclusion of the muramidase in broiler diets linearly increased AID of CP, EE, and P (P ≤ 0.05), and the H group had a higher AID of EE and CP compared to C group (P ≤ 0.05). Microbial muramidase supplementation linearly increased ileal villus length to crypt depth ratio and decreased the number of ileal CD45 cells (P ≤ 0.05). Broilers fed M and H diets had fewer number of CD45 cells in the ileum compared to those in C group (P ≤ 0.05). In conclusion, the results of the present study demonstrated that inclusion of the microbial muramidase in broiler diets could increase AID of key nutrients and improve growth performance in broilers. Adding microbial muramidase to broiler diets can therefore be considered as an interesting prospect to improve gastrointestinal functionality. Biological mechanisms causing these improvements need to be studied further

Enhancing single-parameter quantum charge pumping in carbon-based devices

We present a theoretical study of quantum charge pumping with a single ac gate applied to graphene nanoribbons and carbon nanotubes operating with low resistance contacts. By combining Floquet theory with Green's function formalism, we show that the pumped current can be tuned and enhanced by up to two orders of magnitude by an appropriate choice of device length, gate voltage intensity and driving frequency and amplitude. These results offer a promising alternative for enhancing the pumped currents in these carbon-based devices.Comment: 3.5 pages, 2 figure

Laser-induced effects on the electronic features of graphene nanoribbons

We study the interplay between lateral confinement and photon-induced processes on the electronic properties of illuminated graphene nanoribbons. We find that by tuning the device setup (edges geometries, ribbon width and polarization direction), a laser with frequency {\Omega} may either not affect the electronic structure, or induce bandgaps or depletions at \hbar {\Omega}/2, and/or at other energies not commensurate with half the photon energy. Similar features are also observed in the dc conductance, suggesting the use of the polarization direction to switch on and off the graphene device. Our results could guide the design of novel types of optoelectronic nano-devices.Comment: 4 pages, 3 figure

Uniform non-stoichiometric titanium nitride thin films for improved kinetic inductance detector array

We describe the fabrication of homogeneous sub-stoichiometric titanium nitride films for microwave kinetic inductance detector (mKID) arrays. Using a 6 inch sputtering target and a homogeneous nitrogen inlet, the variation of the critical temperature over a 2 inch wafer was reduced to <25 %. Measurements of a 132-pixel mKID array from these films reveal a sensitivity of 16 kHz/pW in the 100 GHz band, comparable to the best aluminium mKIDs. We measured a noise equivalent power of NEP = 3.6e-15 W/Hz^(1/2). Finally, we describe possible routes to further improve the performance of these TiN mKID arrays.Comment: 7 pages, 4 figures, submitted to Journal of low temperature physics, Proceedings of LTD-1

Tuning laser-induced bandgaps in graphene

Could a laser field lead to the much sought-after tunable bandgaps in graphene? By using Floquet theory combined with Green's functions techniques, we predict that a laser field in the mid-infrared range can produce observable bandgaps in the electronic structure of graphene. Furthermore, we show how they can be tuned by using the laser polarization. Our results could serve as a guidance to design opto-electronic nano-devices.Comment: 4 pages, 3 figures, to appear in Applied Physics Letter

Non-perturbative laser effects on the electrical properties of graphene nanoribbons

The use of Floquet theory combined with a realistic description of the electronic structure of illuminated graphene and graphene nanoribbons is developed to assess the emergence of non-adiabatic and non-perturbative effects on the electronic properties. Here, we introduce an efficient computational scheme and illustrate its use by applying it to graphene nanoribbons in the presence of both linear and circular polarization. The interplay between confinement due to the finite sample size and laser-induced transitions is shown to lead to sharp features on the average conductance and density of states. Particular emphasis is given to the emergence of the bulk limit response.Comment: 14 pages, 8 figures, to appear in J. Phys.: Condens. Matter, special issue on "Ultrafast and nonlinear optics in carbon nanomaterials