Browsing Programa de Doctorat en Física Computacional i Aplicada by Subject "539"

Ab-initio quantum Monte Carlo study of ultracold atomic mixtures

Cikojević, Viktor (Date of defense: 2021-04-20)

The properties of mixtures of Bose-Einstein condensates at T=0 have been investigated using quantum Monte Carlo (QMC) methods and Density Functional Theory (DFT) with the aim of understanding physics beyond the mean-field ...

Atomistic study of slip transfer in BCC metals

Kvashin, Nikolai (Date of defense: 2022-11-16)

(English) The mechanical properties of structural materials, which are naturally polycrystalline, is defined by a number of physical processes that take place at different time and space scales. On several of those processes, ...

Caracterització optoelectrònica de materials bidimensionals a altes freqüencies

Arcos Gutiérrez, David (Date of defense: 2022-07-19)

Two-dimensional materials have a lot of applications in the electronic and photonic device design field, especially when they need to be flexible and transparent. In particular, high frequency applications, above 100MHz, ...

Characterization of the structure, stability, mechanical and electrochemical properties of metallic glasses

Duarte Correa, María Jazmín (Date of defense: 2013-05-31)

Metallic glasses are often referred as glassy or amorphous alloys. They lack long-range order and microstructural defects that are characteristics in crystals, such as grain and phase boundaries and dislocations. These new ...

Computer simulation of an excess proton in aqueous systems

Tahat, Amani Naser (Date of defense: 2016-06-01)

This thesis aims at studying the microscopic physical-chemical properties of an excess proton in aqueous systems. From bulk water environments to narrow hydrophobic channels constructed with a double-layered graphene slab, ...

Correlations in spin-orbit coupled ultracold quantum gases

Sánchez Baena, Juan (Date of defense: 2020-12-14)

The main goal of this thesis is the computation of ground state properties of quantum many-body systems under Spin Orbit coupling (SOC) interactions out of the ultradilute regime. We present two approaches to fulfill this ...

Corrosion studies on Cu-based alloys

Xie, Chenyang (Date of defense: 2021-01-08)

Cu-based alloys are widely applied in corrosive environments. The improvement of the alloys' corrosion resistance will significantly reduce energy consumption and overexploitation of resources. To increase the resistance ...

Coupled dynamical processes in bacteria

Dies Miracle, Marta (Date of defense: 2015-10-27)

The main object of this Thesis is the study of the dynamical coupling between cellular processes, and how this coupling gives rise to a well-defined behavior in the presence of non-linearities and noise. Cell functioning ...

Dielectric spectroscopy studies of low-disorder and low-dimensional materials

Tripathi, Pragya (Date of defense: 2016-11-17)

In this thesis we employ dielectric spectroscopy (in different implementations) to study the dielectric properties of different materials ranging from completely disordered supercooled liquids to low-disorder solids with ...

Dinàmica orientacional i estructura local en liquids moleculars sobrerefredats

Ortiz de Urbina Viade, Jordi (Date of defense: 2021-09-30)

The aim of this thesis is to study, by means of molecular dynamics simulations, the behaviour of two molecular models at different temperatures, approaching the glass transition. One of them mimics methanol molecules, ...

Estudio de la inhomogeneidad elástica en vidrios metalicos en la mesoescala

Velasco Cruz, Jorge Enrique (Date of defense: 2019-06-28)

Metallic glasses are amorphous solids produced by rapid cooling, with disordered atomic structure and lacking long-range order. This structural disorder makes them to show mechanical properties different from those observed ...

Estudio de las propiedades fisicas en regiones chocadas en nebulosas planetarias

Castrillón Camacho, Arjuna (Date of defense: 2021-05-12)

Planetary nebulae play a very important role in the chemical evolution of galaxies since they are responsible for returning nuclear-processed material to the interstellar medium. Observations of planetary nebulae are used ...

Exploring free-energy landscapes and microscopic interactions of selected small-molecules and proteins with cell membranes

Lu, Huixia (Date of defense: 2020-09-29)

The present Thesis is devoted to the study of the physical-chemical properties of selected small-molecules (such as amino-acids like tryptophan or hormones like melatonin) and proteins (such as KRAS-4B) absorbed in model ...