Search results for "EXPANSION"
showing 10 items of 630 documents
Adiabatic expansions for Dirac fields, renormalization, and anomalies
2018
11 pags.
Momentum anisotropy effects for quarkonium in a weakly coupled quark-gluon plasma below the melting temperature
2017
In the early stages of heavy-ion collisions, the hot QCD matter expands more longitudinally than transversely. This imbalance causes the system to become rapidly colder in the longitudinal direction and a local momentum anisotropy appears. In this paper, we study the heavy-quarkonium spectrum in the presence of a small plasma anisotropy. We work in the framework of pNRQCD at finite temperature. We inspect arrangements of non-relativistic and thermal scales complementary to those considered in the literature. In particular, we consider temperatures larger and Debye masses smaller than the binding energy, which is a temperature range relevant for presently running LHC experiments. In this set…
Local structure of perovskites ReO3and ScF3with negative thermal expansion: interpretation beyond the quasiharmonic approximation
2016
We propose an approach beyond the quasiharmonic approximation for interpretation of EXAFS and XRD data and for ab initio calculations of electronic and vibration properties of materials with negative thermal expansion. Ab initio electronic structure and lattice dynamics calculations for cubic and distorted ScF3 were performed using the linear combination of atomic orbitals (LCAO) method. The band gap obtained in calculations for ScF3 is equal to 10.54 eV and agree well with the expected value. The calculated infrared spectra of F displaced (FD) cubic ScF3 allow us to predict that its mean Sc-F-Sc angle within NTE deviates from 180 degree.
Ab initio molecular dynamics simulations of the Sc K-edge EXAFS of scandium trifluoride
2016
Scandium fluoride ScF3 has a simple cubic structure and attracts attention due to its large negative thermal expansion (NTE) over a wide range of temperatures (0-1100 K). In this study we present ab initio molecular dynamics (AIMD) simulations of ScF3 and their validation using the Sc K-edge EXAFS spectra in the temperature range from 300 K to 1000 K measured at the XAFS beamline of ELETTRA. The obtained results allow an assessement of the employed AIMD model and provide insight into the local structure and the lattice dynamics of ScF3 beyond the harmonic approximation. A strong anisotropy of the fluorine atom vibrations in the direction orthogonal to the -Sc-F-Sc- chain is observed. An exp…
Impulsive solvent heating probed by picosecond x-ray diffraction
2006
The time-resolved diffraction signal from a laser-excited solution has three principal components: the solute-only term, the solute-solvent cross term, and the solvent-only term. The last term is very sensitive to the thermodynamic state of the bulk solvent, which may change during a chemical reaction due to energy transfer from light-absorbing solute molecules to the surrounding solvent molecules and the following relaxation to equilibrium with the environment around the scattering volume. The volume expansion coefficient alpha for a liquid is typically approximately 1 x 10(-3) K(-1), which is about 1000 times greater than for a solid. Hence solvent scattering is a very sensitive on-line t…
Cluster Expansions and Variational Monte Carlo in Medium Light Nuclei
1993
The B1 Brink-Boeker effective interaction is used to compute variational upper bounds for the ground state energy of nuclei from 16 O up to 40 Ca. The calculations are carried out by means of the Variational Monte Carlo method and with a multiplicative cluster expansion up to fourth order.
From determination of the fugacity coefficients to estimation of hydrogen storage capacity: A convenient theoretical method
2015
Abstract The equation of state (EOS) from virial expansion (VE) is used in this work to pave the way for determining the fugacity coefficients of the hydrogen fluid at arbitrary temperature and pressure. The fugacity coefficients from our VE method have more physical meanings than the empirical values. In this way, the hydrogen storage capacity of a novel material model can be estimated by using few density functional theory (DFT) calculations with the aid of a continuum model. The efficient continuum model can provide a more accurate estimation of the hydrogen storage capacity than the pure DFT calculations. Furthermore, the expensive grand canonical ensemble (μNT) simulations combining wi…
Temperature dependence of the E2h phonon mode of wurtzite GaN/AlN quantum dots
2008
Raman scattering has been used to study the temperature dependence of the frequency and linewidth of the E2h phonon mode of GaN/AlN quantum dot stacks grown on 6H-SiC. The evolution of the nonpolar phonon mode was analyzed in the temperature range from 80 to 655 K for both quantum dots and barrier materials. The experimental results are interpreted by comparison with a model that takes into account symmetric phonon decay and the different thermal expansions of the constituents of the heterostructure. We find a small increase in the anharmonic parameters of the phonon modes in the heterostructure with respect to bulk. jorbumar@alumni.uv.es Alberto.Garcia@uv.es Ana.Cros@uv.es
Poly(N-isopropylacrylamide)-gated Fe3O4/SiO2 core shell nanoparticles with expanded mesoporous structures for the temperature triggered release of ly…
2015
Core-shell nanoparticles comprised of Fe3O4 cores and a mesoporous silica shell with an average expanded pore size of 6.07 nm and coated with a poly(N-isopropylacrylamide) (PNIPAM) layer (CS MSNs EP PNIPAM) were prepared and characterized. The nanoparticles was loaded with (Ru(bipy)3 2+) dye or an antibacterial enzyme, lysozyme, to obtain CS MSNs EP PNIPAM Ru(bipy)3 2+ and CS MSNs EP PNIPAM Lys, respectively. The lysozyme loading was determined to be 160 mg/g of nanoparticle. It was seen that Ru(bipy)3 2+ and lysozyme release was minimal at a room temperature of 25 ºC while at physiological temperature (37 º C), abrupt release was observed. The applicability of the CS MSNs EP PNIPAM Lys was…
[Fertility preservation in the oncology patient].
2017
In recent years, medical advances have substantially improved survival of cancer patients, generating growing concern about the quality of life of the survivors. Increased attention has been paid to reproductive problems after oncological treatments. International guidelines on fertility preservation in cancer patients require that healthcare teams discuss, as early as possible, the impact of cancer treatments on fertility and encourage access to fertility preservation techniques. The development of these techniques in women is a recent effort and many patients and health care providers are not familiar with their rapid expansion. This article discusses indications, results, and risks of th…