| 1. |
- Abelev, Betty, et al.
(author)
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Long-range angular correlations on the near and away side in p-Pb collisions at root S-NN=5.02 TeV
- 2013
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In: Physics Letters. Section B: Nuclear, Elementary Particle and High-Energy Physics. - : Elsevier BV. - 0370-2693. ; 719:1-3, s. 29-41
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Journal article (peer-reviewed)abstract
- Angular correlations between charged trigger and associated particles are measured by the ALICE detector in p-Pb collisions at a nucleon-nucleon centre-of-mass energy of 5.02 TeV for transverse momentum ranges within 0.5 < P-T,P-assoc < P-T,P-trig < 4 GeV/c. The correlations are measured over two units of pseudorapidity and full azimuthal angle in different intervals of event multiplicity, and expressed as associated yield per trigger particle. Two long-range ridge-like structures, one on the near side and one on the away side, are observed when the per-trigger yield obtained in low-multiplicity events is subtracted from the one in high-multiplicity events. The excess on the near-side is qualitatively similar to that recently reported by the CMS Collaboration, while the excess on the away-side is reported for the first time. The two-ridge structure projected onto azimuthal angle is quantified with the second and third Fourier coefficients as well as by near-side and away-side yields and widths. The yields on the near side and on the away side are equal within the uncertainties for all studied event multiplicity and p(T) bins, and the widths show no significant evolution with event multiplicity or p(T). These findings suggest that the near-side ridge is accompanied by an essentially identical away-side ridge. (c) 2013 CERN. Published by Elsevier B.V. All rights reserved.
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| 2. |
- Abelev, Betty, et al.
(author)
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Measurement of prompt J/psi and beauty hadron production cross sections at mid-rapidity in pp collisions at root s=7 TeV
- 2012
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In: Journal of High Energy Physics. - 1029-8479. ; :11
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Journal article (peer-reviewed)abstract
- The ALICE experiment at the LHC has studied J/psi production at mid-rapidity in pp collisions at root s = 7 TeV through its electron pair decay on a data sample corresponding to an integrated luminosity L-int = 5.6 nb(-1). The fraction of J/psi from the decay of long-lived beauty hadrons was determined for J/psi candidates with transverse momentum p(t) > 1,3 GeV/c and rapidity vertical bar y vertical bar < 0.9. The cross section for prompt J/psi mesons, i.e. directly produced J/psi and prompt decays of heavier charmonium states such as the psi(2S) and chi(c) resonances, is sigma(prompt J/psi) (p(t) > 1.3 GeV/c, vertical bar y vertical bar < 0.9) = 8.3 +/- 0.8(stat.) +/- 1.1 (syst.)(-1.4)(+1.5) (syst. pol.) mu b. The cross section for the production of b-hadrons decaying to J/psi with p(t) > 1.3 GeV/c and vertical bar y vertical bar < 0.9 is a sigma(J/psi <- hB) (p(t) > 1.3 GeV/c, vertical bar y vertical bar < 0.9) = 1.46 +/- 0.38 (stat.)(-0.32)(+0.26) (syst.) mu b. The results are compared to QCD model predictions. The shape of the p(t) and y distributions of b-quarks predicted by perturbative QCD model calculations are used to extrapolate the measured cross section to derive the b (b) over bar pair total cross section and d sigma/dy at mid-rapidity.
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| 3. |
- Abelev, Betty, et al.
(author)
-
Underlying Event measurements in pp collisions at root s=0.9 and 7 TeV with the ALICE experiment at the LHC
- 2012
-
In: Journal of High Energy Physics. - 1029-8479. ; :7
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Journal article (peer-reviewed)abstract
- We present measurements of Underlying Event observables in pp collisions at root s = 0 : 9 and 7 TeV. The analysis is performed as a function of the highest charged-particle transverse momentum p(T),L-T in the event. Different regions are defined with respect to the azimuthal direction of the leading (highest transverse momentum) track: Toward, Transverse and Away. The Toward and Away regions collect the fragmentation products of the hardest partonic interaction. The Transverse region is expected to be most sensitive to the Underlying Event activity. The study is performed with charged particles above three different p(T) thresholds: 0.15, 0.5 and 1.0 GeV/c. In the Transverse region we observe an increase in the multiplicity of a factor 2-3 between the lower and higher collision energies, depending on the track p(T) threshold considered. Data are compared to PYTHIA 6.4, PYTHIA 8.1 and PHOJET. On average, all models considered underestimate the multiplicity and summed p(T) in the Transverse region by about 10-30%.
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| 4. |
- Abdalla, H., et al.
(author)
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First limits on the very-high energy gamma-ray afterglow emission of a fast radio burst HESS observations of FRB 150418
- 2017
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In: Astronomy and Astrophysics. - : The European Southern Observatory (ESO). - 0004-6361 .- 1432-0746. ; 597
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Journal article (peer-reviewed)abstract
- Aims. Following the detection of the fast radio burst FRB150418 by the SUPERB project at the Parkes radio telescope, we aim to search for very-high energy gamma-ray afterglow emission. Methods. Follow-up observations in the very-high energy gamma-ray domain were obtained with the H.E.S.S. imaging atmospheric Cherenkov telescope system within 14.5 h of the radio burst. Results. The obtained 1.4 h of gamma-ray observations are presented and discussed. At the 99% C.L. we obtained an integral upper limit on the gamma-ray flux of Phi(gamma)(E > 350 GeV) < 1.33 x 10(-8) m(-2) s(-1). Differential flux upper limits as function of the photon energy were derived and used to constrain the intrinsic high-energy afterglow emission of FRB 150418. Conclusions. No hints for high-energy afterglow emission of FRB 150418 were found. Taking absorption on the extragalactic background light into account and assuming a distance of z = 0 : 492 based on radio and optical counterpart studies and consistent with the FRB dispersion, we constrain the gamma-ray luminosity at 1 TeV to L < 5 : 1 x 10(47) erg/s at 99% C.L.
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| 5. |
- Abdalla, H., et al.
(author)
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Measurement of the EBL spectral energy distribution using the VHE gamma-ray spectra of HESS blazars
- 2017
-
In: Astronomy and Astrophysics. - : The European Southern Observatory (ESO). - 0004-6361 .- 1432-0746. ; 606
-
Journal article (peer-reviewed)abstract
- Very high-energy gamma rays (VHE, E greater than or similar to 100 GeV) propagating over cosmological distances can interact with the low-energy photons of the extragalactic background light (EBL) and produce electron-positron pairs. The transparency of the Universe to VHE gamma rays is then directly related to the spectral energy distribution (SED) of the EBL. The observation of features in the VHE energy spectra of extragalactic sources allows the EBL to be measured, which otherwise is very difficult. An EBL model-independent measurement of the EBL SED with the H.E.S.S. array of Cherenkov telescopes is presented. It was obtained by extracting the EBL absorption signal from the reanalysis of high-quality spectra of blazars. From H.E.S.S. data alone the EBL signature is detected at a significance of 9.5 sigma, and the intensity of the EBL obtained in different spectral bands is presented together with the associated gamma-ray horizon.
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| 6. |
- Bastuck, Manuel, et al.
(author)
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Comparison of ppb-level gas measurements with a metal-oxide semiconductor gas sensor in two independent laboratories
- 2018
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In: Sensors and actuators. B, Chemical. - : ELSEVIER SCIENCE SA. - 0925-4005 .- 1873-3077. ; 273, s. 1037-1046
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Journal article (peer-reviewed)abstract
- In this work, we use a gas sensor system consisting of a commercially available gas sensor in temperature cycled operation. It is trained with an extensive gas profile for detection and quantification of hazardous volatile organic compounds (VOC) in the ppb range independent of a varying background of other, less harmful VOCs and inorganic interfering gases like humidity or hydrogen. This training was then validated using a different gas mixture generation apparatus at an independent lab providing analytical methods as reference. While the varying background impedes selective detection of benzene and naphthalene at the low concentrations supplied, both formaldehyde and total VOC can well be quantified, after calibration transfer, by models trained with data from one system and evaluated with data from the other system. The lowest achievable root mean squared errors of prediction were 49 ppb for formaldehyde (in a concentration range of 20-200 ppb) and 150 mu g/m(3) (in a concentration range of 25-450 mu g/m(3)) for total VOC. The latter uncertainty improves to 13 mu g/m(3) with a more confined model range of 220-320 mu g/m(3). The data from the second lab indicate an interfering gas which cannot be detected analytically but strongly influences the sensor signal. This demonstrates the need to take into account all sensor relevant gases, like, e.g., hydrogen and carbon monoxide, in analytical reference measurements.
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| 7. |
- Delczeg-Czirjak, Erna-Krisztina, 1978-
(author)
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Energy Relevant Materials: Investigations Based on First Principles
- 2010
-
Licentiate thesis (other academic/artistic)abstract
- Energy production, storage and efficient usage are all crucial factors for environmentally sound and sustainable future technologies. One important question concerns the refrigeration industry, where the energy efficiency of the presently used technologies is at best 40% of the theoretical Carnot limit. Magnetic refrigerators offer a modern low-energy demand and environmentally friendly alternative. Iron phosphide based materials have been proposed to be amongst the most promising candidates for working body of magnetic refrigerators. Hydrogen is one of the central elements on the most promising sources of renewable energy. Considerable international research focuses on finding good solid state materials for hydrogen storage. On the other hand, hydrogen gas is obtained from hydrogen containing chemical compounds, which after breaking the chemical bounds usually yield to a mixture of different gases. Palladium-silver alloys are frequently used for hydrogen separation membranes for producing purified hydrogen gas. All these applications need a fundamental understanding of the structural, magnetic, chemical and thermophysical properties of the involved solid state materials. In the present thesis ab initio electronic structure methods are used to study the crystallographic and magnetic properties of Fe2P based magneto-caloric compounds and the thermophysical properties of Pd-Ag binary alloys. Lattice stability of pure Fe2P and the effect of Si doping on the phase stability are presented. In contrast to the observation, for the ferromagnetic state the body centered orthorhombic structure (bco, space group Imm2) is predicted to have lower energy than the hexagonal structure (hex, space group P62m). The zero-point spin fluctuation energy difference is found to be large enough to stabilize the hex phase. For the paramagnetic state, the hex structure is shown to be the stable phase and the computed total energy versus composition indicates a hex to bco crystallographic phase transition with increasing Si content. The magneto-structural effects and the mechanisms responsible for the structural phase transition are discussed in details. The magnetic properties of Fe2P can be subtly tailored by Mn doping. It has been shown experimentally that Mn atoms preferentially occupy one of the two different Fe sites of Fe2P. Theoretical results for the Mn site occupancy in MnFeP1-xSix are presented. The single crystal and polycrystalline elastic constants and the Debye temperature of Pd1-xAgx binary alloys are calculated for the whole range of concentration, 0≤x≤1. It is shown that the variation of the elastic parameters of Pd-Ag alloys with chemical composition strongly deviates from the simple expected trend. The complex electronic origin of these anomalies is demonstrated. Within the present thesis, all relaxed crystal structures are obtained using the Projector AugmentedWave full-potential method. The chemical and magnetic disorder is treated using the Exact Muffin-Tin Orbitals method in combination with the Coherent Potential Approximation. The paramagnetic phase is modeled by the Disordered Local Magnetic Moments approach.
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| 8. |
- Elgazzar, S., et al.
(author)
-
Electronic structure and Fermi surface of PrMIn5 (M = Co, Rh, and Ir) compounds
- 2008
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In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 77:12, s. 125105-
-
Journal article (peer-reviewed)abstract
- We report density functional calculations of the electronic structure, Fermi surface, and de Haas-van Alphen (dHvA) quantities of the PrMIn5 (M=Co, Rh, and Ir) compounds. Our investigation is carried out within the framework of the local density approximation, using a relativistic, full-potential band-structure method. A critical analysis of the electronic structures and the de Haas-van Alphen quantities is performed, which shows that good agreement with recent measurements is obtained when we assume the Pr 4f states to be localized. The topology of the Fermi surface is calculated to be similar to that of non-4f reference compounds, e.g., LaRhIn5. The similarities of the Fermi surfaces and the dHvA extremal orbits among the compounds in the series are discussed. We, furthermore, compare our calculated effective masses with experimental measurements and discuss the differences between them.
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| 9. |
- Gupta, Sudipta, et al.
(author)
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Validity of the Stokes-Einstein Relation in Soft Colloids up to the Glass Transition
- 2015
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In: Physical Review Letters. - 1079-7114. ; 115:12
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Journal article (peer-reviewed)abstract
- We investigate the dynamics of kinetically frozen block copolymer micelles of different softness across a wide range of particle concentrations, from the fluid to the onset of glassy behavior, through a combination of rheology, dynamic light scattering, and pulsed field gradient NMR spectroscopy. We additionally perform Brownian dynamics simulations based on an ultrasoft coarse- grained potential, which are found to be in quantitative agreement with experiments, capturing even the very details of dynamic structure factors S(Q, t) on approaching the glass transition. We provide evidence that for these systems the Stokes-Einstein relation holds up to the glass transition; given that it is violated for dense suspensions of hard colloids, our findings suggest that its validity is an intriguing signature of ultrasoft interactions.
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| 10. |
- Leipold, Sina, et al.
(author)
-
Lessons, narratives, and research directions for a sustainable circular economy
- 2023
-
In: Journal of Industrial Ecology. - : Wiley. - 1088-1980 .- 1530-9290. ; 27:1, s. 6-18
-
Journal article (peer-reviewed)abstract
- The current enthusiasm for the circular economy (CE) offers a unique opportunity to advance the impact of research on sustainability transitions. Diverse interpretations of CE by scholars, however, produce partly opposing assessments of its potential benefits, which can hinder progress. Here, we synthesize policy-relevant lessons and research directions for a sustainable CE and identify three narratives—optimist, reformist, and skeptical—that underpin the ambiguity in CE assessments. Based on 54 key CE scholars’ insights, we identify three research needs: the articulation and discussion of ontologically distinct CE narratives; bridging of technical, managerial, socio-economic, environmental, and political CE perspectives; and critical assessment of opportunities and limits of CE science–policy interactions. Our findings offer practical guidance for scholars to engage reflexively with the rapid expansion of CE knowledge, identify and pursue high-impact research directions, and communicate more effectively with practitioners and policymakers.
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| 11. |
- Lejaeghere, Kurt, et al.
(author)
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Reproducibility in density functional theory calculations of solids.
- 2016
-
In: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 351:6280, s. 1415-1422
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Journal article (peer-reviewed)abstract
- The widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each code implements the formalism in a different way, raising questions about the reproducibility of such predictions. We report the results of a community-wide effort that compared 15 solid-state codes, using 40 different potentials or basis set types, to assess the quality of the Perdew-Burke-Ernzerhof equations of state for 71 elemental crystals. We conclude that predictions from recent codes and pseudopotentials agree very well, with pairwise differences that are comparable to those between different high-precision experiments. Older methods, however, have less precise agreement. Our benchmark provides a framework for users and developers to document the precision of new applications and methodological improvements.
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| 12. |
- Li, Xiaoqing
(author)
-
Mechanical Properties of Transition Metal Alloys from First-Principles Theory
- 2014
-
Licentiate thesis (other academic/artistic)abstract
- The aim of the thesis is to investigate the alloying effect on the mechanical properties of random alloys using the all-electron exact muffin-tin orbitals methodin combination with the coherent-potential approximation. The second-order elastic constants describe the mechanical properties of materials in the small deformation region, where the stress-strain relations arelinear. Beyond the small elastic region, the mechanical properties of dislocation-free solids are described by the ideal strength.The elastic constants and ideal tensile strengths have been investigated as a function of Cr and Ti for the body centered cubic V-based random solidsolution. Alloys along the equi-composition region are found to exhibit the largest shear and Young’s modulus as a result of the opposite alloying effectsobtained for the two cubic shear elastic constants C' and C44.Classical solid-solution hardening (SSH) model predicts larger hardening effect in V-Ti thanin V-Cr alloy. By considering a phenomenological expression for the ductile-brittle transition temperature (DBTT) in terms of Peierls stress and SSH, itis shown that the present theoretical results can account for the variations of DBTT with composition. Under uniaxial [001] tensile loading, the ideal tensilestrength of V is 12.4 GPa and the lattice fails by shear. Assuming isotropic Poisson contraction, the ideal tensile strength are 36.4 and 52.0 GPa for V inthe [111] and [110] directions, respectively. For the V-based alloys, Cr increases and Ti decreases the ideal tensile strength in all principal directions. Addingthe same concentration of Cr and Ti to V leads to ternary alloys with similar ideal tensile strength values as that of pure V. The alloying effects on the idealtensile strength are explained using the electronic band structure.The ideal tensile strengths of bcc ferromagnetic Fe-based random alloys have been calculated as a function of compositions. The ideal tensile strength of Fe in the [001] direction is calculated to be 12. 6GPa,in agreement with the available data. For the Fe-based alloys, we predict that V, Cr, and Co increase the ideal tensile strength, while Al and Ni decrease it. Manganese yields a weak non-monotonous alloying behavior. We show that the limited use of the previouslyestablished ideal tensile strengths model based on structural energy differences in the case of Fe-bases alloys is attributed to the effect of magnetism. We find that upon tension all the investigated solutes strongly alter the magneticresponse of the Fe host from the unsaturated towards a stronger ferromagnetic behavior.
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| 13. |
- Schoenecker, Stephan, et al.
(author)
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Metastable cubic and tetragonal phases of transition metals predicted by density-functional theory
- 2015
-
In: RSC Advances. - : Royal Society of Chemistry (RSC). - 2046-2069. ; 5:85, s. 69680-69689
-
Journal article (peer-reviewed)abstract
- By means of density-functional calculations, we systematically investigated 24 transition metals for possible metastable phases in body-centered tetragonal structure (bct), including face-centered cubic (fcc) and body-centered cubic (bcc) geometries. A total of 36 structures not coinciding with equilibrium phases were found to minimize the total energy for the bct degrees of freedom. Among these, the fcc structures of Sc, Ti, Co, Y, Zr, Tc, Ru, Hf, Re, and Os, and bct Zr with c/a = 0.82 were found to be metastable according to their computed phonon spectra. Eight of these predicted phases are not known from the respective pressure-temperature phase diagrams. Possible ways to stabilize the predicted metastable phases are illustrated.
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| 14. |
- Schönecker, Stephan, et al.
(author)
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Lattice dynamics and metastability of fcc metals in the hcp structure and the crucial role of spin-orbit coupling in platinum
- 2018
-
In: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 97:22
-
Journal article (peer-reviewed)abstract
- We investigate the lattice dynamical properties of Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au in the nonequilibrium hcp structure by means of density-functional simulations, wherein spin-orbit coupling (SOC) was considered for Ir, Pt, and Au. The determined dynamical properties reveal that all eight elements possess a metastable hcp phase at zero temperature and pressure. The hcp Ni, Cu, Rh, Pd, and Au previously observed in nanostructures support this finding. We make evident that the inclusion of SOC is mandatory for an accurate description of the phonon dispersion relations and dynamical stability of hcp Pt. The underlying sensitivity of the interatomic force constants is ascribed to a SOC-induced splitting of degenerate band states accompanied by a pronounced reduction of electronic density of states at the Fermi level. To give further insight into the importance of SOC in Pt, we (i) focus on phase stability and examine a lattice transformation related to optical phonons in the hcp phase and (ii) focus on the generalized stacking fault energy (GSFE) of the fcc phase pertinent to crystal plasticity. We show that the intrinsic stable and unstable fault energies of the GSFE scale as in other common fcc metals, provided that the spin-orbit interaction is taken into account.
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| 15. |
- Zhang, Hongbin, et al.
(author)
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Electric-field control of surface magnetic anisotropy : a density functional approach
- 2009
-
In: New Journal of Physics. - : IOP Publishing. - 1367-2630. ; 11:043007
-
Journal article (peer-reviewed)abstract
- In a recent experiment, Weisheit et al ( 2007 Science 315 349) demonstrated that the coercivity of thin L1(0) FePt and FePd films can be modified by the external electric field in an electrochemical environment. Here, this observation is confirmed by density functional calculations for the intrinsic magnetic anisotropy. The origin of the effect is clarified by means of a general and simple method to simulate charged metal surfaces. It is predicted that the coercivity of thin CoPt films is much more susceptible to electric field than that of FePt films.
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