13,981 research outputs found
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
0.08) cm, 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 0.02)
cm and g = 2.091 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, 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
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