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1.
  • Müser, M. H., et al. (author)
  • Meeting the Contact-Mechanics Challenge
  • 2017
  • In: Tribology letters. - : Springer New York LLC. - 1023-8883 .- 1573-2711. ; 65:4
  • Journal article (peer-reviewed)abstract
    • This paper summarizes the submissions to a recently announced contact-mechanics modeling challenge. The task was to solve a typical, albeit mathematically fully defined problem on the adhesion between nominally flat surfaces. The surface topography of the rough, rigid substrate, the elastic properties of the indenter, as well as the short-range adhesion between indenter and substrate, were specified so that diverse quantities of interest, e.g., the distribution of interfacial stresses at a given load or the mean gap as a function of load, could be computed and compared to a reference solution. Many different solution strategies were pursued, ranging from traditional asperity-based models via Persson theory and brute-force computational approaches, to real-laboratory experiments and all-atom molecular dynamics simulations of a model, in which the original assignment was scaled down to the atomistic scale. While each submission contained satisfying answers for at least a subset of the posed questions, efficiency, versatility, and accuracy differed between methods, the more precise methods being, in general, computationally more complex. The aim of this paper is to provide both theorists and experimentalists with benchmarks to decide which method is the most appropriate for a particular application and to gauge the errors associated with each one..
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2.
  • Abraham, T., et al. (author)
  • Polyelectrolyte-mediated interaction between similarly charged surfaces : Role of divalent counter ions in tuning surface forces
  • 2001
  • In: Langmuir. - : American Chemical Society (ACS). - 0743-7463 .- 1520-5827. ; 17:26, s. 8321-8327
  • Journal article (peer-reviewed)abstract
    • The effects of divalent salts (CaCl2, MgCl2 and BaCl2) in promoting the adsorption of weakly charged polyelectrolyte (polyacrylic acid), PAA, Mw similar to 250000 g/mol) on mica surfaces and their role in tuning the nature of interactions between such adsorbed polyelectrolyte layers were studied using the interferometric surface forces apparatus. With mica surfaces in 3 mM MgCl2 solutions at pH similar to8.0-9.0, the addition of 10 ppm PAA resulted in a long-range attractive bridging force and a short-range repulsive steric force. This force profile indicates a low surface coverage and weak adsorption. The range of the force can be related to the characteristic length scale R-G of polyelectrolyte chains using a scaling description. An increase of the PAA concentration to 50 ppm changed the attractive force profile to a monotonic, long-range repulsive interaction extending up to 600 Angstrom due to the increased surface coverage of polyelectrolyte chains on the mica surfaces. Comparison of the measured forces with a scaling mean field model suggests that the adsorbed polyelectrolyte chains are stretched, which eventually give rise to the polyelectrolyte brush like structure. When the mica surfaces were preincubated in 3 mM CaCl2 at pH similar to8.0-9.0, in contrast to the case of 3 MM MgCl2, the addition of 10 ppm PAA resulted in a more complex force profile: long-range repulsive forces extending up to 800 Angstrom followed by an attractive force regime and a second repulsive force regime at shorter separations. The long-range electrosteric forces can be attributed to strong adsorption of polyelectrolyte chains on mica surfaces (high surface coverage) which is facilitated by the presence of Ca2+ ions, while the intermediate range attractive forces can be ascribed to Ca2+ assisted bridging between adsorbed polyelectrolyte chains. Also interesting is to note various relaxation processes present in this system. In contrast to both MgCl2 and CaCl2 systems, with mica surfaces in 3 mM BaCl2 solution at pH similar to8.0-9.0, the addition of 10 ppm PAA resulted in precipitation of polyelectrolyte chains on mica surfaces, resulting in an extremely long-range monotonic repulsive force profile. In summary, our study showed that divalent counterions (Mg2+, Ca2+, and Ba2+) exhibit significantly different behavior in promoting PAA adsorption on mica surfaces, modifying and controlling various surface interactions.
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5.
  • Xu, Hui, et al. (author)
  • Spectral/hp element methods: Recent developments, applications, and perspectives
  • 2018
  • In: Journal of Hydrodynamics. - : Springer Science and Business Media LLC. - 1001-6058 .- 1000-4874 .- 1878-0342. ; 30:1, s. 1-22
  • Journal article (peer-reviewed)abstract
    • The spectral/hp element method combines the geometric flexibility of the classical h-type finite element technique with the desirable numerical properties of spectral methods, employing high-degree piecewise polynomial basis functions on coarse finite element-type meshes. The spatial approximation is based upon orthogonal polynomials, such as Legendre or Chebychev polynomials, modified to accommodate a C0 - continuous expansion. Computationally and theoretically, by increasing the polynomial order p , high-precision solutions and fast convergence can be obtained and, in particular, under certain regularity assumptions an exponential reduction in approximation error between numerical and exact solutions can be achieved. This method has now been applied in many simulation studies of both fundamental and practical engineering flows. This paper briefly describes the formulation of the spectral/hp element method and provides an overview of its application to computational fluid dynamics. In particular, it focuses on the use of the spectral/hp element method in transitional flows and ocean engineering. Finally, some of the major challenges to be overcome in order´to use the spectral/hp element method in more complex science and engineering applications are discussed
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6.
  • Xu, Tianhua, et al. (author)
  • Analysis of chromatic dispersion compensation and carrier phase recovery in long-haul optical transmission system influenced by equalization enhanced phase noise
  • 2017
  • In: Optik (Stuttgart). - : Elsevier GmbH. - 0030-4026 .- 1618-1336. ; 138, s. 494-508
  • Journal article (peer-reviewed)abstract
    • The performance of long-haul coherent optical fiber transmission system is significantly affected by the equalization enhanced phase noise (EEPN), due to the interaction between the electronic dispersion compensation (EDC) and the laser phase noise. In this paper, we present a comprehensive study on different chromatic dispersion (CD) compensation and carrier phase recovery (CPR) approaches, in the n-level phase shift keying (n-PSK) and the n-level quadrature amplitude modulation (n-QAM) coherent optical transmission systems, considering the impacts of EEPN. Four CD compensation methods are considered: the time-domain equalization (TDE), the frequency-domain equalization (FDE), the least mean square (LMS) adaptive equalization are applied for EDC, and the dispersion compensating fiber (DCF) is employed for optical dispersion compensation (ODC). Meanwhile, three carrier phase recovery methods are also involved: a one-tap normalized least mean square (NLMS) algorithm, a block-wise average (BWA) algorithm, and a Viterbi-Viterbi (VV) algorithm. Numerical simulations have been carried out in a 28-Gbaud dual-polarization quadrature phase shift keying (DP-QPSK) coherent transmission system, and the results indicate that the origin of EEPN depends on the choice of chromatic dispersion compensation methods, and the effects of EEPN also behave moderately different in accordance to different carrier phase recovery scenarios.
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10.
  • Yik, Jackie T., et al. (author)
  • Automated electrolyte formulation and coin cell assembly for high-throughput lithium-ion battery research
  • 2023
  • In: Digital Discovery. - : Royal Society of Chemistry. - 2635-098X. ; 2:3, s. 799-808
  • Journal article (peer-reviewed)abstract
    • Battery cell assembly and testing in conventional battery research is acknowledged to be heavily time-consuming and often suffers from large cell-to-cell variations. Manual battery cell assembly and electrolyte formulations are prone to introducing errors which confound optimization strategies and upscaling. Herein we present ODACell, an automated electrolyte formulation and battery assembly setup, capable of preparing large batches of coin cells. We demonstrate the feasibility of Li-ion cell assembly in an ambient atmosphere by preparing LiFePO4‖Li4Ti5O12-based full cells with dimethyl sulfoxide-based model electrolyte. Furthermore, the influence of water is investigated to account for the hygroscopic nature of the non-aqueous electrolyte when exposed to ambient atmosphere. The reproducibility tests demonstrate a conservative fail rate of 5%, while the relative standard deviation of the discharge capacity after 10 cycles was 2% for the studied system. The groups with 2 vol% and 4 vol% of added water in the electrolyte showed overlapping performance trends, highlighting the nontrivial relationship between water contaminants in the electrolytes and the cycling performance. Thus, reproducible data are essential to ascertain whether or not there are minor differences in the performance for high-throughput electrolyte screenings. ODACell is broadly applicable to coin cell assembly with liquid electrolytes and therefore presents an essential step towards accelerating research and development of such systems.
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