Electric-Field Gradient at Cd Impurities in In2o3. A FLAPW Study

We report an ab initio study of the electric-field gradient tensor (EFG) at Cd impurities located at both inequivalent cationic sites in the semiconductor In2O3. Calculations were performed with the FLAPW method, that allows us to treat the electronic structure of the doped system and the atomic relaxations introduced by the impurities in the host lattice in a fully self-consistent way. From our results for the EFG (in excellent agreement with the experiments), it is clear that the problem of the EFG at impurities in In2O3 cannot be described by the point-charge model and antishielding factors.Comment: 4 pages, 2 figures, and 2 table

Keberhasilan Inseminasi Buatan Menggunakan Semen Beku Dan Semen Cair Pada Sapi Peranakan Ongole

The purpose of this research was to know about the successfully artificial insemination (AI) using frozen and liquid semen of Ongole cross (PO) cattle indicated by Service per Conception (S/C), Days Open (DO) dan Conception Rate (CR). The materials used were 60 heads of Ongole crossbred cattle which were selected purposively using some criteria, such as having calving experience, healthy, and free from any reproduction disorder. This field experiment consisted of direct observation and interview to acquire primary and secondary data. Datas were analyzed descriptively and continued by a paired t-test. The results showed that the value of (S/C) was very significantly different (P<0.01), DO was not significantly different (P>0.05). CR for P1, P2, P3, and P4 was found 63.33% , 86.67%, 16.33%, 83.33% respectively. The conclusion of this research was AI using frozen and liquid semen with only 5 days preservation had a difference on the value of service per conception. The most successfull AI was found higher in the liquid semen which was stored for 1 and 5 days than that of frozen semen

The problem of a metal impurity in an oxide: ab-initio study of electronic and structural properties of Cd in Rutile TiO2

In this work we undertake the problem of a transition metal impurity in an oxide. We present an ab-initio study of the relaxations introduced in TiO2 when a Cd impurity replaces substitutionally a Ti atom. Using the Full-Potential Linearized-Augmented-Plane-Wave method we obtain relaxed structures for different charge states of the impurity and computed the electric-field gradients (EFGs) at the Cd site. We find that EFGs, and also relaxations, are dependent on the charge state of the impurity. This dependence is very remarkable in the case of the EFG and is explained analyzing the electronic structure of the studied system. We predict fairly anisotropic relaxations for the nearest oxygen neighbors of the Cd impurity. The experimental confirmation of this prediction and a brief report of these calculations have recently been presented [P.R.L. 89, 55503 (2002)]. Our results for relaxations and EFGs are in clear contradiction with previous studies of this system that assumed isotropic relaxations and point out that no simple model is viable to describe relaxations and the EFG at Cd in TiO2 even approximately.Comment: 11 pages, 8 figures, Revtex 4, published in Physical Review

Analysis of hybrid separation schemes for levulinic acid separation by process intensification and assessment of thermophysical properties impact

From the time levulinic acid was listed as one of the top-12 building blocks for the sugars-high value compounds conversion, the interest in this compound increased. As part of its possible production route, the definition of viable separation schemes appears of paramount importance in the overall development of levulinic acid exploitation. Hybrid sequences where liquid-liquid extraction is followed by distillation were considered proving how the direct and direct-indirect separation schemes appeared to be the best alternatives in terms of total annual cost and environmental impact. These alternatives were further analyzed to improve their design by complementing the process simulator database with thermophysical experimental values. After obtaining a reliable design for the hybrid direct and direct-indirect configurations used as benchmarks, two intensified al-ternatives were generated. The first intensified configuration is classified as thermodynamically equivalent sequence, while the second one includes a divided wall column. For both, it was achieved a reduction of the total annual cost of 11% without any penalty for the environmental impact compared to the reference case

Progress and status of APEmille

We report on the progress and status of the APEmille project: a SIMD parallel computer with a peak performance in the TeraFlops range which is now in an advanced development phase. We discuss the hardware and software architecture, and present some performance estimates for Lattice Gauge Theory (LGT) applications.Comment: Talk presented at LATTICE97, 3 pages, Late

First-principles study of orthorhombic CdTiO3 perovskite

In this work we perform an ab-initio study of CdTiO3 perovskite in its orthorhombic phase using FLAPW method. Our calculations help to decide between the different cristallographic structures proposed for this perovskite from X-Ray measurements. We compute the electric field gradient tensor (EFG) at Cd site and obtain excellent agreement with available experimental information from a perturbed angular correlation (PAC) experiment. We study EFG under an isotropic change of volume and show that in this case the widely used "point charge model approximation" to determine EFG works quite well.Comment: 4 pages, 1 figure. Accepted in Physical Review

Potts models in the continuum. Uniqueness and exponential decay in the restricted ensembles

In this paper we study a continuum version of the Potts model. Particles are points in R^d, with a spin which may take S possible values, S being at least 3. Particles with different spins repel each other via a Kac pair potential. In mean field, for any inverse temperature there is a value of the chemical potential at which S+1 distinct phases coexist. For each mean field pure phase, we introduce a restricted ensemble which is defined so that the empirical particles densities are close to the mean field values. Then, in the spirit of the Dobrushin Shlosman theory, we get uniqueness and exponential decay of correlations when the range of the interaction is large enough. In a second paper, we will use such a result to implement the Pirogov-Sinai scheme proving coexistence of S+1 extremal DLR measures.Comment: 72 pages, 1 figur

Ab initio study of magnetism at the TiO2/LaAlO3 interface

In this paper we study the possible relation between the electronic and magnetic structure of the TiO2/LaAlO3 interface and the unexpected magnetism found in undoped TiO2 films grown on LaAlO$_3$. We concentrate on the role played by structural relaxation and interfacial oxygen vacancies. LaAlO3 has a layered structure along the (001) direction with alternating LaO and AlO2 planes, with nominal charges of +1 and -1, respectively. As a consequence of that, an oxygen deficient TiO2 film with anatase structure will grow preferently on the AlO2 surface layer. We have therefore performed ab-initio calculations for superlattices with TiO2/AlO2 interfaces with interfacial oxygen vacancies. Our main results are that vacancies lead to a change in the valence state of neighbour Ti atoms but not necessarily to a magnetic solution and that the appearance of magnetism depends also on structural details, such as second neighbor positions. These results are obtained using both the LSDA and LSDA+U approximations.Comment: Accepted for publication in Journal of Materials Scienc

Perturbation of serine enantiomers homeostasis in the striatum of MPTP-lesioned monkeys and mice reflects the extent of dopaminergic midbrain degeneration

Loss of dopaminergic midbrain neurons perturbs L-serine and D-serine homeostasis in the post-mortem caudate putamen (CPu) of Parkinson's disease (PD) patients. However, it is unclear whether the severity of dopaminergic nigrostriatal degeneration plays a role in deregulating serine enantiomers' metabolism. Here, through high -performance liquid chromatography (HPLC), we measured the levels of these amino acids in 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)-treated monkeys and MPTP-plus-probenecid (MPTPp)-treated mice to determine whether and how dopaminergic midbrain degeneration affects the levels of serine enantiomers in various basal ganglia subregions. In addition, in the same brain regions, we measured the levels of key neuro-active amino acids modulating glutamatergic neurotransmission, including L-glutamate, glycine, L-aspartate, D- aspartate, and their precursors L-glutamine, L-asparagine. In monkeys, MPTP treatment produced severe denervation of nigrostriatal dopaminergic fibers (⁓75%) and increased the levels of serine enantiomers in the rostral putamen (rPut), but not in the subthalamic nucleus, and the lateral and medial portion of the globus pallidus. Moreover, this neurotoxin significantly reduced the protein expression of the astrocytic serine trans-porter ASCT1 and the glycolytic enzyme GAPDH in the rPut of monkeys. Conversely, concentrations of D-serine and L-serine, as well as ASCT1 and GAPDH expression were unaffected in the striatum of MPTPp-treated mice, which showed only mild dopaminergic degeneration (⁓30%). These findings unveil a link between the severity of dopaminergic nigrostriatal degeneration and striatal serine enantiomers concentration, ASCT1 and GAPDH expression. We hypothesize that the up-regulation of D-serine and L-serine levels occurs as a secondary response within a homeostatic loop to support the metabolic and neurotransmission demands imposed by the degener-ation of dopaminergic neurons

Full-Body Radiographic Analysis of Postoperative Deviations From Age-Adjusted Alignment Goals in Adult Spinal Deformity Correction and Related Compensatory Recruitment.

Background: Full-body stereographs for adult spinal deformity (ASD) have enhanced global deformity and lower-limb compensation associations. The advent of age-adjusted goals for classic ASD parameters (sagittal vertical axis, pelvic tilt, spino-pelvic mismatch [PI-LL]) has enabled individualized evaluation of successful versus failed realignment, though these remain to be radiographically assessed postoperatively. This study analyzes pre- and postoperative sagittal alignment to quantify patient-specific correction against age-adjusted goals, and presents differences in compensation in patients whose postoperative profile deviates from targets. Methods: Single-center retrospective review of ASD patients ≥ 18 years with biplanar full-body stereographic x-rays. Inclusion: ≥ 4 levels fused, complete baseline and early (≤ 6-month) follow-up imaging. Correction groups generated at postoperative visit for actual alignment compared to age-adjusted ideal values for pelvic tilt, PI-LL, and sagittal vertical axis derived from clinically relevant formulas. Patients that matched exact ± 10-year threshold for age-adjusted targets were compared to unmatched cases (undercorrected or overcorrected). Comparison of spinal alignment and compensatory mechanisms (thoracic kyphosis, hip extension, knee flexion, ankle flexion, pelvic shift) across correction groups were performed with ANOVA and paired Results: The sagittal vertical axis, pelvic tilt, and PI-LL of 122 patients improved at early postoperative visits ( Conclusions: Global alignment cohort improvements were observed, and when comparing actual to age-adjusted alignment, undercorrections recruited pelvic and lower-limb flexion to compensate. Level of Evidence: 3