Search results for " density"
showing 10 items of 2709 documents
The pressure-induced ringwoodite to Mg-perovskite and periclase post-spinel phase transition: a Bader’s topological analysis of the ab initio electro…
2011
In order to characterize the pressure-induced decomposition of ringwoodite (c-Mg2SiO4), the topological analysis of the electron density q(r), based upon the theory of atoms in molecules (AIM) developed by Bader in the framework of the catastrophe theory, has been performed. Calculations have been carried out by means of the ab initio CRYSTAL09 code at the HF/DFT level, using Hamiltonians based on the Becke- LYP scheme containing hybrid Hartree– Fock/density functional exchange–correlation terms. The equation of state at 0 K has been constructed for the three phases involved in the post-spinel phase transition (ringwoodite -> Mg-perovskite + periclase) occurring at the transition zone–lower…
A Comparative Study of Phenotypic Changes in Microtus Social Organization
1990
Monogamy, polygyny, and promiscuity have been found in populations of M. oeconomus and M. agrestis in different environmental situations in northern Finland. Thus the mating systems seem to be more variable both between and within species in Microtus than in Clethrionomys. Spacing behavior in Microtus caused a temporary decline in population density in mid-summer, but in Clethrionomys a decline occurred only in the beginning of the breeding season. Habitat quality affected spacing behavior in similar ways in Microtus and Clethrionomys but did not affect differences in breeding limitation. Despite the differences in population regulation, both Clethrionomys and Microtus populations cycle syn…
Latitudinal- and local-scale variations in a rocky intertidal interaction web
2015
Natural assemblages are structured by a complex combination of positive and negative interactions, and the relative importance of each interaction can vary across spatial scales. By using a simple interaction web (barnacles-grazers-microphytobenthos) in a rocky intertidal system, we tested the hypothesis that the relative strength of positive and negative interactions would vary as a function of different environmental stress between 2 latitudinal levels and local environmental conditions. We manipulated the cover of barnacles and the presence of limpets at 2 sites in northern and southern Italy and non-destructively examined the response of microphyto - benthos (MPB) (photosynthetic biomas…
CMB Anisotropy Computations Using Hydra Gas Code
2014
From FFP6 to FFP11, we presented the advances in our Cosmic Microwave Background (CMB) anisotropy computations using N-body Hydra Codes. For such computations, codes without baryons were used: First sequential versions and afterwards parallel ones. With both of them we computed the weak lensing and the Rees-Sciama contributions to the CMB angular power spectrum. Using our numerical techniques, we reported a lensing effect higher than that estimated in previous papers (for very small angular scales). Our CMB computations require less interpolations and approximations than other approaches. This could explain part of our excess of power in lensing computations. Our higher time and angular res…
Acid–Base Properties and Surface Charge Distribution of the Water-Soluble Au102(pMBA)44 Nanocluster
2016
The pKa of the p-mercaptobenzoic acid (pMBA) ligands in the Au102(pMBA)44 nanocluster was measured by using acid–base and IR titration. The observed macroscopic pKa = 6.18 ± 0.05 is significantly more basic than that of free pMBA (pKa = 4.16), and the protonation behavior is anticooperative according to the Hill coefficient n = 0.64 ± 0.04. The cluster is truly water-soluble when more than 22 and insoluble when fewer than 7 ligands are in the deprotonated state. In order to obtain more insight into the anticooperative character, the cluster was modeled at pH ∼6.2 using constant pH molecular dynamics simulations. The pKa values of the individual pMBAs are in the range of 5.18–7.58, depending…
A Novel Energy Harvester for Powering Small UAVs: Performance Analysis, Model Validation and Flight Results
2019
The proposed work aims at exploring and developing new strategies to extend mission parameters (measured as travel distance and mission duration (MD)) of a new class of unmanned vehicles, named Micro Air Vehicles (MAVs). In this paper, a new analytical model, identifying all factors, which determine the MAV power consumption, is presented. Starting from the new model, the design of a nanoarray energy harvester, based on plasmonics nano-antenna technology is proposed. The preliminary study was based on a 22,066,058 22,066,058 ×
Electrical power production from low-grade waste heat using a thermally regenerative ethylenediamine battery
2017
Abstract Thermally regenerative ammonia-based batteries (TRABs) have been developed to harvest low-grade waste heat as electricity. To improve the power production and anodic coulombic efficiency, the use of ethylenediamine as an alternative ligand to ammonia was explored here. The power density of the ethylenediamine-based battery (TRENB) was 85 ± 3 W m−2-electrode area with 2 M ethylenediamine, and 119 ± 4 W m−2 with 3 M ethylenediamine. This power density was 68% higher than that of TRAB. The energy density was 478 Wh m−3-anolyte, which was ∼50% higher than that produced by TRAB. The anodic coulombic efficiency of the TRENB was 77 ± 2%, which was more than twice that obtained using ammon…
Development of a membrane-less microfluidic thermally regenerative ammonia battery
2021
Thermally regenerative ammonia battery is a promising approach to make use of waste heat and generate electrical energy. However, according to literature, the price of the energy obtained by this device is much higher than alternative renewable technologies (such as wind, solar, geothermal, etc.). To make the process more viable for applicative purposes, it would be necessary to reduce dramatically the cost of the membrane or to avoid it. Hence, the aim of the present work is to increase the economic figures of thermally regenerative ammonia battery avoiding the use of membranes. It was concluded that this result can be obtained by developing the process in a microfluidic flow cell with lam…
Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states
2019
Materials can be classified by the topological character of their electronic structure and, in this perspective, global attributes immune to local deformations have been discussed in terms of Berry curvature and Chern numbers. Except for instructional simple models, linear response theories have been ubiquitously employed in calculations of topological properties of real materials. Here we propose a completely different and versatile approach to get the topological characteristics of materials by calculating physical observables from the real-time evolving Bloch states: the cell-averaged current density reveals the anomalous velocities whose integration leads to the conductivity quantum. Re…
Synthesis of a New Disulfide Affinity Adsorbent for Purification of Human Uterine Progesterone Receptor
2005
For purification of the human uterine progesterone receptor, an affinity adsorbent was synthesized in which the specific ligand (16 alpha-ethyl-3-oxo-19nor-androst-4-ene 17 beta-carboxylic acid) was bound to derivatized celulose using a disulfide-group-containing spacer. The purified receptor protein, isolated by reductive cleavage of the disulfide bond, bound the synthetic gestagen R5020 with high affinity (Kd 12.2 nmol/l). The affinity gel was highly efficient. A 24000-fold purification of progesterone receptor with a recovery of 40% could be achieved in a single step within 6 h. By means of dodecyl sulphate/polyacrylamide gel electrophoresis two main polypeptides with molecular weights o…