Advanced titanium scaffolds obtained by directional freeze-drying: on the influence of processing conditions

Ministry of Science and Innovation of Spain under Grant No. MAT2010-20855Junta de Andalucía (Spain) / FEDER (EU), through the project Ref. P12-TEP-140

Porous Titanium Cylinders Obtained by the Freeze-Casting Technique: Influence of Process Parameters on Porosity and Mechanical Behavior

 The discrepancy between the stiffness of commercially pure titanium and cortical bone  tissue compromises its success as a biomaterial. The use of porous titanium has been widely studied,  however, it is still challenging to obtain materials able to replicate the porous structure of the bones  (content, size, morphology and distribution). In this work, the freeze‐casting technique is used to  manufacture cylinders with elongated porosity, using a home‐made and economical device. The  relationship between the processing parameters (diameter and material of the mold, temperature  gradient), microstructural features and mechanical properties is established and discussed, in terms  of ensuring biomechanical and biofunctional balance. The cylinders have a gradient porosity  suitable for use in dentistry, presenting higher Young’s modulus at the bottom, near the cold spot  and, therefore better mechanical resistance (it would be in contact with a prosthetic crown), while  the opposite side, the hot spot, has bigger, elongated pores and walls.  Ministry of Economy and Competitiveness of Spain  grant  MAT2015‐71284‐P  FEDER‐Junta de Andalucía Research  Project (Modeling and implementation of the freeze casting technique: gradients of porosity with a tribomechanical equilibrium and electro‐stimulated cellular behavior).

A simple and economical device to process Ti cylinders with elongated porosity by freeze-casting techniques: design and manufacturing [Póster]

Design, manufacture and validation of a simple and economic device that allows producing Ti cylinders with directed porosity applying the freeze-casting technique, and the study of the influence on the internal structure of the Ti porous samples when different materials are used for the vessel (alumina or Teflon).Junta de Andalucía (Spain) Grant No. P12-TEP-1401Ministry of Economy and Innovation of Spain project MAT2015-71284-

Comparative study of density functional theories of the exchange-correlation hole and energy in silicon

We present a detailed study of the exchange-correlation hole and exchange-correlation energy per particle in the Si crystal as calculated by the Variational Monte Carlo method and predicted by various density functional models. Nonlocal density averaging methods prove to be successful in correcting severe errors in the local density approximation (LDA) at low densities where the density changes dramatically over the correlation length of the LDA hole, but fail to provide systematic improvements at higher densities where the effects of density inhomogeneity are more subtle. Exchange and correlation considered separately show a sensitivity to the nonlocal semiconductor crystal environment, particularly within the Si bond, which is not predicted by the nonlocal approaches based on density averaging. The exchange hole is well described by a bonding orbital picture, while the correlation hole has a significant component due to the polarization of the nearby bonds, which partially screens out the anisotropy in the exchange hole.Comment: 16 pages, 5 figures, RevTeX, added conten

Phase diagram of the Hubbard chain with two atoms per cell

We obtain the quantum phase diagram of the Hubbard chain with alternating on-site energy at half filling. The model is relevant for the ferroelectric perovskites and organic mixed-stack donor-acceptor crystals. For any values of the parameters, the band insulator is separated from the Mott insulator by a dimer phase. The boundaries are determined accurately by crossing of excited levels with particular discrete symmetries. We show that these crossings coincide with jumps of charge and spin Berry phases with a clear geometrical meaning.Comment: 5 pages including 2 figures To be published in Phys. Rev. B (Rapid Communications

Severity of cardiomyopathy associated with adenine nucleotide translocator-1 deficiency correlates with mtDNA haplogroup

Mutations of both nuclear and mitochondrial DNA (mtDNA)-encoded mitochondrial proteins can cause cardiomyopathy associated with mitochondrial dysfunction. Hence, the cardiac phenotype of nuclear DNA mitochondrial mutations might be modulated by mtDNA variation. We studied a 13-generation Mennonite pedigree with autosomal recessive myopathy and cardiomyopathy due to an SLC25A4 frameshift null mutation (c.523delC, p.Q175RfsX38), which codes for the heart-muscle isoform of the adenine nucleotide translocator-1. Ten homozygous null (adenine nucleotide translocator-1(-/-)) patients monitored over a median of 6 years had a phenotype of progressive myocardial thickening, hyperalaninemia, lactic acidosis, exercise intolerance, and persistent adrenergic activation. Electrocardiography and echocardiography with velocity vector imaging revealed abnormal contractile mechanics, myocardial repolarization abnormalities, and impaired left ventricular relaxation. End-stage heart disease was characterized by massive, symmetric, concentric cardiac hypertrophy; widespread cardiomyocyte degeneration; overabundant and structurally abnormal mitochondria; extensive subendocardial interstitial fibrosis; and marked hypertrophy of arteriolar smooth muscle. Substantial variability in the progression and severity of heart disease segregated with maternal lineage, and sequencing of mtDNA from five maternal lineages revealed two major European haplogroups, U and H. Patients with the haplogroup U mtDNAs had more rapid and severe cardiomyopathy than those with haplogroup H

Use of the Generalized Gradient Approximation in Pseudopotential Calculations of Solids

We present a study of the equilibrium properties of $sp$-bonded solids within the pseudopotential approach, employing recently proposed generalized gradient approximation (GGA) exchange correlation functionals. We analyze the effects of the gradient corrections on the behavior of the pseudopotentials and discuss possible approaches for constructing pseudopotentials self-consistently in the context of gradient corrected functionals. The calculated equilibrium properties of solids using the GGA functionals are compared to the ones obtained through the local density approximation (LDA) and to experimental data. A significant improvement over the LDA results is achieved with the use of the GGA functionals for cohesive energies. For the lattice constant, the same accuracy as in LDA can be obtained when the nonlinear coupling between core and valence electrons introduced by the exchange correlation functionals is properly taken into account. However, GGA functionals give bulk moduli that are too small compared to experiment.Comment: 15 pages, latex, no figure

The Correlated Colors of Transneptunian Binaries

We report resolved photometry of the primary and secondary components of 23 transneptunian binaries obtained with the Hubble Space Telescope. V-I colors of the components range from 0.7 to 1.5 with a median uncertainty of 0.06 magnitudes. The colors of the primaries and secondaries are correlated with a Spearman rank correlation probability of 99.99991%, 5 sigma for a normal distribution. Fits to the primary vs. secondary colors are identical to within measurement uncertainties. The color range of binaries as a group is indistinguishable from that of the larger population of apparently single transneptunian objects. Whatever mechanism produced the colors of apparently single TNOs acted equally on binary systems. The most likely explanation is that the colors of transneptunian objects and binaries alike are primordial and indicative of their origin in a locally homogeneous, globally heterogeneous protoplanetary disk.Comment: 28 pages, 4 figure, 4 tables. accepted to Icaru

Correlation energy of a two-dimensional electron gas from static and dynamic exchange-correlation kernels

We calculate the correlation energy of a two-dimensional homogeneous electron gas using several available approximations for the exchange-correlation kernel $f_{\rm xc}(q,\omega)$ entering the linear dielectric response of the system. As in the previous work of Lein {\it et al.} [Phys. Rev. B {\bf 67}, 13431 (2000)] on the three-dimensional electron gas, we give attention to the relative roles of the wave number and frequency dependence of the kernel and analyze the correlation energy in terms of contributions from the $(q, i\omega)$ plane. We find that consistency of the kernel with the electron-pair distribution function is important and in this case the nonlocality of the kernel in time is of minor importance, as far as the correlation energy is concerned. We also show that, and explain why, the popular Adiabatic Local Density Approximation performs much better in the two-dimensional case than in the three-dimensional one.Comment: 9 Pages, 4 Figure

The long-time dynamics of two hydrodynamically-coupled swimming cells

Swimming micro-organisms such as bacteria or spermatozoa are typically found in dense suspensions, and exhibit collective modes of locomotion qualitatively different from that displayed by isolated cells. In the dilute limit where fluid-mediated interactions can be treated rigorously, the long-time hydrodynamics of a collection of cells result from interactions with many other cells, and as such typically eludes an analytical approach. Here we consider the only case where such problem can be treated rigorously analytically, namely when the cells have spatially confined trajectories, such as the spermatozoa of some marine invertebrates. We consider two spherical cells swimming, when isolated, with arbitrary circular trajectories, and derive the long-time kinematics of their relative locomotion. We show that in the dilute limit where the cells are much further away than their size, and the size of their circular motion, a separation of time scale occurs between a fast (intrinsic) swimming time, and a slow time where hydrodynamic interactions lead to change in the relative position and orientation of the swimmers. We perform a multiple-scale analysis and derive the effective dynamical system - of dimension two - describing the long-time behavior of the pair of cells. We show that the system displays one type of equilibrium, and two types of rotational equilibrium, all of which are found to be unstable. A detailed mathematical analysis of the dynamical systems further allows us to show that only two cell-cell behaviors are possible in the limit of $t\to\infty$, either the cells are attracted to each other (possibly monotonically), or they are repelled (possibly monotonically as well), which we confirm with numerical computations