E. Machado
A5090488401- Particle physics theoretical and experimental studies
- Quantum Chromodynamics and Particle Interactions
- Dark Matter and Cosmic Phenomena
- High-Energy Particle Collisions Research
- Particle Detector Development and Performance
- Theoretical and Computational Physics
- Atomic and Subatomic Physics Research
- Neutrino Physics Research
- Particle Accelerators and Free-Electron Lasers
- Graphene research and applications
- Semiconductor materials and devices
- Quantum many-body systems
- Black Holes and Theoretical Physics
- Solid-state spectroscopy and crystallography
- Opinion Dynamics and Social Influence
- Computational Physics and Python Applications
- Molecular Junctions and Nanostructures
- Radiation Detection and Scintillator Technologies
- Copper Interconnects and Reliability
- Machine Learning in Materials Science
- 2D Materials and Applications
- Material Properties and Processing
- Electronic and Structural Properties of Oxides
- Cultural Heritage Materials Analysis
- Chalcogenide Semiconductor Thin Films
Graz University of Technology
2018-2024
Nawi Graz
2022-2023
Christian Doppler Laboratory for Thermoelectricity
2022
CEA Grenoble
2011-2015
Commissariat à l'Énergie Atomique et aux Énergies Alternatives
1998-2015
Institut Nanosciences et Cryogénie
2011-2014
Université Grenoble Alpes
2011-2014
Université Joseph Fourier
2011-2013
Institut Català de Nanociència i Nanotecnologia
2007-2008
Boston University
1997-2007
Unbiased open-ended methods for finding transition states are powerful tools to understand diffusion and relaxation mechanisms associated with defect diffusion, growth processes, catalysis. They have been little used, however, in conjunction ab initio packages as these algorithms demanded large computational effort generate even a single event. Here, we revisit the activation-relaxation technique (ART nouveau) introduce two-step convergence saddle point, combining previously used Lanczós...
We present a study, within mean-field approach, of the kinetics classical mixed Ising ferrimagnetic model on square lattice, in which two interpenetrating sublattices have spins $\ensuremath{\sigma}=\ifmmode\pm\else\textpm\fi{}1/2$ and $S=\ifmmode\pm\else\textpm\fi{}1,0.$ The is described by Glauber-type stochastic dynamics presence time-dependent oscillating external field crystal interaction. can identify types solutions: symmetric one, where total magnetization $M$ oscillates around zero,...
The evolution of many systems is dominated by rare activated events that occur on timescale ranging from nanoseconds to the hour or more. For such systems, simulations must leave aside full thermal description focus specifically mechanisms generate a configurational change. We present here activation relaxation technique (ART), an open-ended saddle point search algorithm, and series recent improvements ART nouveau kinetic ART, ART-based on-the-fly off-lattice self-learning Monte Carlo method.
We use fits to recent published CPLEAR data on neutral kaon decays $π^+π^-$ and $πeν$ constrain the CPT--violation parameters appearing in a formulation of system as an open quantum-mechanical system. The obtained upper limits are approaching range suggested by certain ideas concerning quantum gravity.
This paper reports on Hall effect and resistivity measurements under high pressure up to 3--4 GPa in $p$-type $\ensuremath{\gamma}$-indium selenide (InSe) (doped with As, Cd, or Zn) $\ensuremath{\epsilon}$-gallium (GaSe) N Sn). The behavior of the hole concentration mobility exhibits dramatic differences between two layered compounds. While increase moderately monotonously $\ensuremath{\epsilon}$-GaSe, a large near 0.8 continuous mobility, which doubled its ambient value by 3.2 GPa, is...
We have studied the crystal and electronic structure of monoclinic (MC) InSe under pressure finding a reversible phase transition to ${\mathrm{Hg}}_{2}{\mathrm{Cl}}_{2}$-like tetragonal phase. The evolution was investigated by angle-dispersive x-ray diffraction Raman spectroscopy in diamond-anvil cell up $30\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$. From experiments, we deduced that MC becomes gradually more symmetric pressure, transforming into one at...
In this letter, we study the stability of domain model for lithium intercalated graphite in stages III and II by means Density Functional Theory Kinetic Lattice Monte Carlo simulations. We find that is either thermodynamically or kinetically stable when compared to standard II. The existence domains intercalation sequence well supported recent high resolution transmission electron microscope observations lithiated graphite. Moreover, predict such staging sequences leads a wide range...
Magnetism in 2D atomic sheets has attracted considerable interest as its existence could allow the development of electronic and spintronic devices. The magnetism is not sufficient for devices, however, states must be addressable modifiable through application an external drive. We show that defects hexagonal boron nitride present a strong interplay between N-N distance edge magnetic moments defects. By stress-induced geometry modifications, we change ground state moment This control made...
The magnetic behavior of a mixed Ising ferrimagnetic system on square lattice, in which the two interpenetrating sublattices have spins $\ensuremath{\sigma}$ $(\ifmmode\pm\else\textpm\fi{}1/2)$ and S $(\ifmmode\pm\else\textpm\fi{}1,0),$ presence an oscillating field, has been studied with Monte Carlo techniques. model includes nearest- next-nearest-neighbor interactions, crystal external field. By studying hysteretic response this to we found that it qualitatively reproduces increasing...
Biopolymer cellulose is investigated in terms of the crystallographic order within thin films. The films were prepared by spin-coating a trimethylsilyl precursor followed an exposure to HCl vapors; two different source materials used. Careful precharacterization was performed infrared spectroscopy and atomic force microscopy. Subsequently, grazing incidence X-ray diffraction using synchrotron radiation. results showed broad peaks, indicating rather short correlation length molecular packing...
The CP violation parameter η+− is determined through the eigentime-dependent asymmetry in rates of initially tagged K0 and decaying to π+π−. obtained values are |η+−| = (2.312 ± 0.043stat. 0.030syst. 0.011τs) × 10−3 Φ+− 42.7° 0.9stat.° 0.6syst.° 0.9Δm° with Δ (527.4 2.9) 107h̵gs−1 measured same experiment using semileptonic decay channel.
We present theoretical studies based on first-principles density functional theory calculations the mechanisms of chemical vapor deposition Cu-hexafluoracetylacetonato-trimethylvinylsilane (Cu(hfac)(tmvs)) tantalum surfaces. This process has been used in past to grow copper films via a disproportionation reaction and was found exhibit adhesion problems. show that Ta surfaces are highly reactive organic ligands precursor would undergo spontaneous decomposition upon contact with substrates....
Abstract A two-step framework to analyze local microstructure variations of paper sheets based on 3D image data is presented. First, a multi-stage workflow efficiently acquires large set highly resolved tomographic data, which enables—in combination with statistical analysis—the quantification and pairwise correlations morphological characteristics length scales ranging from micrometers centimeters. Secondly, the analyzed in terms behavior porosity, thickness, further descriptors related...
We show that attenuation X-ray microcomputed tomography (μ-CT) offers a route to extract the three-dimensional pore space of paper reliably enough distinguish samples same kind paper. Here, we consider two sack kraft papers for cement bags with different basis weights and thicknesses. Sample areas approximately 5 mm2 resolution 1.5 μm are considered, i.e. sizes exceed sample 2 which structure was previously studied in literature. The image segmentation is based on indicator kriging as local...
Abstract Rail vehicle air spring bellows consisting of cord rubber composites are subject to a wide variety stresses. It is therefore crucial understand the fatigue behavior such components, as development process involves use empirical methods, which both time‐consuming and costly. This paper outlines methodology for assessing strength through representative specimen testing. Ten component tests validated numerical model presented. The primary loading scenario investigated in this study...
Cord-rubber composites are subjected to a wide range of loads in various applications. However, their fatigue behavior remains relatively under-researched. To address this gap, set representative specimens was developed, and validated numerical model employed assess fatigue-relevant parameters. In study, we present the results from two series tests with different strain ratios (R values). One pure pulsating tensile ~0), while second experienced an increased mean R ratio between 0.2 0.3. A...