| 1. |
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- 2019
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Tidskriftsartikel (refereegranskat)
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| 2. |
- Manni, Giovanni Li, et al.
(författare)
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The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry
- 2023
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Ingår i: Journal of Chemical Theory and Computation. - : American Chemical Society (ACS). - 1549-9618 .- 1549-9626. ; 19:20, s. 6933-6991
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Tidskriftsartikel (refereegranskat)abstract
- The developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic structure theory, electronic spectroscopy simulations, analytic gradients and molecular structure optimizations, ab initio molecular dynamics, and other new features. This report offers an overview of the chemical phenomena and processes OpenMolcas can address, while showing that OpenMolcas is an attractive platform for state-of-the-art atomistic computer simulations.
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| 3. |
- Bhattacharyya, A., et al.
(författare)
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Neutron capture cross sections of light neutron-rich nuclei relevant for -process nucleosynthesis
- 2021
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Ingår i: Physical Review C. - 2469-9993 .- 2469-9985. ; 104:4
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Tidskriftsartikel (refereegranskat)abstract
- The measurements of neutron capture cross sections of neutron-rich nuclei are challenging but essential for understanding nucleosynthesis and stellar evolution processes in the explosive burning scenario. In the quest of -process abundances, according to the neutrino-driven-wind model, light neutron-rich unstable nuclei may play a significant role as seed nuclei that influence the abundance pattern. Hence, experimental data for neutron capture cross sections of neutron-rich nuclei are needed. Coulomb dissociation of radioactive ion beams at intermediate energy is a powerful indirect method for inferring capture cross section. As a test case for validation of the indirect method, the neutron capture cross section (, ) for was inferred from the Coulomb dissociation of at intermediate energy ( MeV). A comparison between different theoretical approaches and experimental results for the reaction is discussed. We report for the first time experimental reaction cross sections of , , , and . The reaction cross sections were inferred indirectly through Coulomb dissociation of , , and at incident projectile energies around 400-430 MeV using the FRS-LAND setup at GSI, Darmstadt. The neutron capture cross sections were obtained from the photoabsorption cross sections with the aid of the detailed balance theorem. The reaction rates for the neutron-rich Na, Mg, Al nuclei at typical -process temperatures were obtained from the measured () capture cross sections. The measured neutron capture reaction rates of the neutron-rich nuclei, , , and are significantly lower than those predicted by the Hauser-Feshbach decay model. A similar trend was observed earlier for and but in the case of the trend is opposite. The situation is more complicated when the ground state has a multi-particle-hole configuration. For , the measured cross section is about higher than the Hauser-Feshbach prediction.
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| 4. |
- Chakraborty, S., et al.
(författare)
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Ground-state configuration of neutron-rich Al-35 via Coulomb breakup
- 2017
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Ingår i: Physical Review C. - 2469-9985 .- 2469-9993. ; 96:3, s. 1965-
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Tidskriftsartikel (refereegranskat)abstract
- The ground-state configuration of Al-35 has been studied via Coulomb dissociation (CD) using the LAND-FRS setup (GSI, Darmstadt) at a relativistic energy of similar to 403 MeV/nucleon. The measured inclusive differential CD cross section for Al-35, integrated up to 5.0 MeV relative energy between the Al-34 core and the neutron using a Pb target, is 78(13) mb. The exclusive measured CD cross section that populates various excited states of 34Al is 29(7) mb. The differential CD cross section of Al-35 -> Al-34 + n has been interpreted in the light of a direct breakup model, and it suggests that the possible ground-state spin and parity of Al-35 could be, tentatively, 1/2+ or 3/2(+) or 5/2(+). The valence neutrons, in the ground state of Al-35, may occupy a combination of either l = 3,0 or l = 1,2 orbitals coupled with the Al-34 core in the ground and isomeric state(s), respectively. This hints of a particle-hole configuration of the neutron across the magic shell gaps at N = 20,28 which suggests narrowing the magic shell gap. If the 5/2+ is the ground-state spin-parity of Al-35 as suggested in the literature, then the major ground-state configuration of Al-35 is a combination of Al-34(g. s.; 4(-)) circle times upsilon(p3/2) and Al-34(isomer; 1(+)) circle times upsilon(d3/2) states. The result from this experiment has been compared with that from a previous knockout measurement and a calculation using the SDPF-M interaction.
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| 5. |
- Chakraborty, S., et al.
(författare)
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Ground-state configuration of neutron-rich Aluminum isotopes through Coulomb breakup
- 2014
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Ingår i: EPJ Web of Conferences. - : EDP Sciences. - 2101-6275 .- 2100-014X. ; 66
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Konferensbidrag (refereegranskat)abstract
- Neutron-rich 34,35Al isotopes have been studied through Coulomb excitation using LAND-FRS setup at GSI, Darmstadt. The method of invariant mass analysis has been used to reconstruct the excitation energy of the nucleus prior to decay. Comparison of experimental CD cross-section with direct breakup model calculation with neutron in p3/2 orbital favours 34Al(g.s) - νp3/2 as ground state configuration of 35Al. But ground state configuration of 34Al is complicated as evident from γ-ray spectra of 33Al after Coulomb breakup of 34Al. © Owned by the authors, published by EDP Sciences, 2014.
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| 6. |
- Datta, U., et al.
(författare)
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Direct experimental evidence for a multiparticle-hole ground state configuration of deformed Mg-33
- 2016
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Ingår i: Physical Review C. - 2469-9985 .- 2469-9993. ; 94:3
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Tidskriftsartikel (refereegranskat)abstract
- The first direct experimental evidence of a multiparticle-hole ground state configuration of the neutron-rich Mg-33 isotope has been obtained via intermediate energy (400 A MeV) Coulomb dissociation measurement. The major part similar to(70 +/- 13)% of the cross section is observed to populate the excited states of Mg-32 after the Coulomb breakup of Mg-33. The shapes of the differential Coulomb dissociation cross sections in coincidence with different core excited states favor that the valence neutron occupies both the s(1/2) and p(3/2) orbitals. These experimental findings suggest a significant reduction and merging of sd-pf shell gaps at N similar to 20 and 28. The ground state configuration of Mg-33 is predominantly a combination of Mg-32(3.0,3.5MeV; 2(-), 1(-)) circle times nu(s1/2), Mg-32(2.5MeV; 2(+)) circle times nu(p3/2), and Mg-32(0; 0(+)) circle times nu(p3/2). The experimentally obtained quantitative spectroscopic information for the valence neutron occupation of the s and p orbitals, coupled with different core states, is in agreement with Monte Carlo shell model (MCSM) calculation using 3 MeV as the shell gap at N = 20.
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| 7. |
- Rahaman, A., et al.
(författare)
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Coulomb breakup of neutron-rich Na-29,Na-30 isotopes near the island of inversion
- 2017
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Ingår i: Journal of Physics G: Nuclear and Particle Physics. - : IOP Publishing. - 0954-3899 .- 1361-6471. ; 44:4, s. 045101-
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Tidskriftsartikel (refereegranskat)abstract
- First results are reported on the ground state configurations of the neutron-rich Na-29,Na-30 isotopes, obtained via Coulomb dissociation (CD) measurements. The invariant mass spectra of these nuclei have been obtained through measurement of the four-momenta of all decay products after Coulomb excitation of those nuclei on a Pb-208 target at energies of 400-430 MeV/nucleon using the FRS-ALADIN-LAND setup at GSI, Darmstadt. Integrated inclusive CD cross-sections (CD) of 89 (7) mb and 167 (13) mb for one neutron removal from Na-29 and Na-30, respectively, have been extracted up to an excitation energy of 10 MeV. The major part of one neutron removal, CD cross-sections of those nuclei populate the core, in its ground state. A comparison with the direct breakup model, suggests the predominant occupation of the valence neutron in the ground state of Na-29 (3/2(+)) and Na-30 (2(+)) is the d-orbital with a small contribution from the s-orbital, which are coupled with the ground state of the core. One of the major components of the ground state configurations of these nuclei are Na-28(gs)(1(+)) circle times v(s,d) and Na-29(gs)(3/2(+)) circle times v(s,d), respectively. The ground state spin and parity of these nuclei obtained from this experiment are in agreement with earlier reported values. The spectroscopic factors for the valence neutron occupying the s and d orbitals for these nuclei in the ground state have been extracted and reported for the first time. A comparison of the experimental findings with shell model calculation using the MCSM suggests a lower limit of around 4.3 MeV of the sd-pf shell gap in Na-30.
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| 8. |
- Rahaman, A., et al.
(författare)
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Study of ground state wave-function of the Neutron-rich 29,30Na isotopes through coulomb breakup
- 2014
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Ingår i: EPJ Web of Conferences. - : EDP Sciences. - 2101-6275 .- 2100-014X. ; 66
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Konferensbidrag (refereegranskat)abstract
- Coulomb breakup of unstable neutron rich nuclei 29,30Na around the 'island of inversion' has been studied at energy around 434 MeV/nucleon and 409 MeV/nucleon respectively. Four momentum vectors of fragments, decay neutron from excited projectile and γ-rays emitted from excited fragments after Coulomb breakup are measured in coincidence. For these nuclei, the low-lying dipole strength above one neutron threshold can be explained by direct breakup model. The analysis for Coulomb breakup of 29,30Na shows that large amount of the cross section yields the 28Na, 29Na core in ground state. The predominant ground-state configuration of 29,30Na is found to be 28Na(g.s) νs1/2 and 29Na(g.s) νs1/2,respectively. © Owned by the authors, published by EDP Sciences, 2014.
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| 9. |
- Gleeson, Daniel, 1988, et al.
(författare)
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Generating Optimized Trajectories for Robotic Spray Painting
- 2022
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Ingår i: IEEE Transactions on Automation Science and Engineering. - 1558-3783 .- 1545-5955. ; 19:3, s. 1380-1391
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Tidskriftsartikel (refereegranskat)abstract
- In the manufacturing industry, spray painting is often an important part of the manufacturing process. Especially in the automotive industry, the perceived quality of the final product is closely linked to the exactness and smoothness of the painting process. For complex products or low batch size production, manual spray painting is often used. But in large scale production with a high degree of automation, the painting is usually performed by industrial robots. There is a need to improve and simplify the generation of robot trajectories used in industrial paint booths. A novel method for spray paint optimization is presented, which can be used to smooth out a generated initial trajectory and minimize paint thickness deviations from a target thickness. The smoothed out trajectory is found by solving, using an interior point solver, a continuous non-linear optimization problem. A two-dimensional reference function of the applied paint thickness is selected by fitting a spline function to experimental data. This applicator footprint profile is then projected to the geometry and used as a paint deposition model. After generating an initial trajectory, the position and duration of each trajectory segment are used as optimization variables. The primary goal of the optimization is to obtain a paint applicator trajectory, which would closely match a target paint thickness when executed. The algorithm has been shown to produce satisfactory results on both a simple 2-dimensional test example, and a non-trivial industrial case of painting a tractor fender. The resulting trajectory is also proven feasible to be executed by an industrial robot.
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| 10. |
- Salman, R., et al.
(författare)
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An industrially validated CMM inspection process with sequence constraints
- 2016
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Ingår i: Procedia CIRP. - : Elsevier BV. - 2212-8271. ; 44, s. 138-143
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Konferensbidrag (refereegranskat)abstract
- An efficient CMM inspection process implemented in industry gives significant productivity improvements. A key part of this improvement is the optimization of the inspection sequences. To ensure quality of the inspection the sequences are often constrained with respect to the order of the measurements. This gives rise to so called precedence constraints when modelling the inspection sequence as a variation of the travelling salesperson problem (TSP). Two heuristic solution approaches and a generic optimizing algorithm are considered. A generation based stochastic algorithm is found to reduce cycle time by as much as 12% in comparison to the currently used algorithm.
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