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New Zealand's size and isolation can stimulate new science
https://cds.cern.ch/record/2226778
It is conventionally thought that New Zealand's distance from the large, northern hemisphere centres of learning, and our relatively small population and wealth, are detrimental to the contribution we can make to the advancement of scientific knowledge. Here the reverse point of view is argued.Yock, PhilipSat, 22 Oct 2016 05:30:57 GMT20 Oct 2016arXiv:1610.06518https://cds.cern.ch/record/2226778['arXiv:1610.06518']arXiv:1610.06518Properties of Surface Plasmon Polaritons on lossy materials: Lifetimes, periods and excitation conditions
https://cds.cern.ch/record/2226772
The possibility to excite Surface Plasmon Polaritons (SPPs) at the interface between two media depends on the optical properties of both media and geometrical aspects. Specific conditions allowing the coupling of light with a plasmon-active interface must be satisfied. Plasmonic effects are well described in noble metals where the imaginary part of the dielectric permittivity is often neglected ("perfect medium approximation"). However, some systems exist for which such approximation cannot be applied, hence requiring a refinement of the common SPP theory. In this context, several properties of SPPs such as excitation conditions, period of the electromagnetic field modulation and SPP lifetime then may strongly deviate from that of the perfect medium approximation. In this paper, calculations taking into account the imaginary part of the dielectric permittivities are presented. The model identifies analytical terms which should not be neglected in the mathematical description of SPPs on lossy materials. These calculations are applied to numerous material combinations resulting in a prediction of the corresponding SPP features. A list of plasmon-active interfaces is provided along with a quantification of the above mentioned SPP properties in the regime where the perfect medium approximation is not applicable.Derrien, Thibault J -YKrüger, JörgBonse, JörnSat, 22 Oct 2016 05:30:56 GMT20 Oct 2016arXiv:1610.06442https://cds.cern.ch/record/2226772['arXiv:1610.06442']arXiv:1610.06442Conical-Shaped Titania Nanotubes for Optimized Light Management in DSSCs Reach Back-side Illumination Efficiencies > 8%
https://cds.cern.ch/record/2226771
In the present work, we introduce the anodic growth of conical shaped TiO2 nanotube arrays. These titania nanocones provide a scaffold for dye-sensitized solar cell (DSSC) structures with significantly improved photon management, providing an optimized absorption profile compared with conventional cylindrical nanotube arrays. Finite difference time domain (FDTD) modelling demonstrates a drastically changed power-absorption characteristic over the tube length. When used in a back-side illumination DSSC configuration, nanocone structures can reach over 60 % higher solar cell conversion efficiency than conventional tubes. The resulting {\eta} of ca. 8 % represents one of the highest reported values for Graetzel type DSSCs used under back-side illumination.So, SeulgiKriesch, ArianPeschel, UlfSchmuki, PatrikSat, 22 Oct 2016 05:30:56 GMT19 Oct 2016arXiv:1610.06437https://cds.cern.ch/record/2226771['arXiv:1610.06437']arXiv:1610.06437Towards a new generalized space expansion dynamics applied to the rotation of galaxies and Tully Fisher law
https://cds.cern.ch/record/2226766
Up to now, the rotational velocities of galaxies are not clearly understood and the experimental Tully Fisher rule, linking the total galactic mass to the fourth power of the velocity, through an acceleration coefficient of about 10-10 m/s2 has not found a deep theoretical explanation. Tentative proposals (MOND theory of a modified Newton s law and extraneous dark matter) do not bring a definite clarification. We propose here a new approach to this problem, without exotic matter and using the classical Newton force. But we introduce a new additional universal acceleration, which could represent a universal expansion law valid at the scale level of a galaxy. We show that this hypothesis leads to a good description of the observed variations of the galactic transverse velocity. It can be considered as a consequence of the Scale Expansion Cosmos theory (SEC) introduced by J. Masreliez, but we postulate that the space expansion acceleration universally applies at any scale. We obtain a formal derivation of the Tully Fisher law, linking the constant galactic transverse velocity to its total mass, via the universal minimum acceleration. We derive a good estimate of the TF acceleration coefficient and show that expansion should be proportional to the square root of the local volumic mass density. Our conjecture is in fact a new dynamics principle which could be applied to many other physical problems at different scales. Applying it to the range of the solar planet system confirms the well known Kepler laws, at least as a valid approximation for the order of magnitude of the solar system.Fleuret, JacquesSat, 22 Oct 2016 05:30:56 GMT14 Oct 2016arXiv:1610.06414https://cds.cern.ch/record/2226766['arXiv:1610.06414']arXiv:1610.06414Dual atomic interferometer with a tunable point of minimum magnetic sensitivity
https://cds.cern.ch/record/2226748
Atomic interferometers are often affected by magnetic field fluctuations. Using the clock transition at zero magnetic field minimizes the effect of these fluctuations. There is another transition in rubidium that minimizes the magnetic sensitivity at 3.2 G.We combine the previous two transitions to obtain minimum magnetic sensitivity at a tunable magnetic field between 2.2 and 3.2 G. The two interferometers evolve independently from each other and we control the magnetic sensitivity by changing the population in both transitions with a microwave pulse.Hamzeloui, SaeedMartínez, DanielAbediyeh, VahidehArias, NievesGomez, EduardoValenzuela, Víctor ManuelSat, 22 Oct 2016 05:30:55 GMT19 Oct 2016arXiv:1610.06271https://cds.cern.ch/record/2226748['arXiv:1610.06271']arXiv:1610.06271One-dimensional Ising model with multispin interactions
https://cds.cern.ch/record/2226736
We study the spin-$1/2$ Ising chain with multispin interactions $K$ involving the product of $m$ successive spins, for general values of $m$. Using a change of spin variables the zero-field partition function of a finite chain is obtained for free and periodic boundary conditions (BC) and we calculate the two-spin correlation function. When placed in an external field $H$ the system is shown to be self-dual. Using another change of spin variables the one-dimensional (1D) Ising model with multispin interactions in a field is mapped onto a zero-field rectangular Ising model with first-neighbour interactions $K$ and $H$. The 2D system, with size $m\times N/m$, has the topology of a cylinder with helical BC. In the thermodynamic limit $N/m\to\infty$, $m\to\infty$, a 2D critical singularity develops on the self-duality line, $\sinh 2K\sinh 2H=1$.Turban, LSat, 22 Oct 2016 05:30:54 GMT17 May 2016arXiv:1605.05199https://cds.cern.ch/record/2226736['arXiv:1605.05199']arXiv:1605.05199Records for the number of distinct sites visited by a random walk on the fully-connected lattice
https://cds.cern.ch/record/2226735
We consider a random walk on the fully-connected lattice with $N$ sites and study the time evolution of the number of distinct sites $s$ visited by the walker on a subset with $n$ sites. A record value $v$ is obtained for $s$ at a record time $t$ when the walker visits a site of the subset for the first time. The record time $t$ is a partial covering time when $v<n$ and a total covering time when $v=n$. The probability distributions for the number of records $s$, the record value $v$ and the record (covering) time $t$, involving $r$-Stirling numbers, are obtained using generating function techniques. The mean values, variances and skewnesses are deduced from the generating functions. In the scaling limit the probability distributions for $s$ and $v$ lead to the same Gaussian density. The fluctuations of the record time $t$ are also Gaussian at partial covering, when $n-v={\mathrm O}(n)$. They are distributed according to the type-I Gumbel extreme-value distribution at total covering, when $v=n$. A discrete sequence of generalized Gumbel distributions, indexed by $n-v$, is obtained at almost total covering, when $n-v={\mathrm O}(1)$. These generalized Gumbel distributions are crossing over to the Gaussian distribution when $n-v$ increases.Turban, LSat, 22 Oct 2016 05:30:54 GMT18 May 2015arXiv:1505.04616https://cds.cern.ch/record/2226735['arXiv:1505.04616']arXiv:1505.04616Probability distribution of the number of distinct sites visited by a random walk on the finite-size fully-connected lattice
https://cds.cern.ch/record/2226734
The probability distribution of the number $s$ of distinct sites visited up to time $t$ by a random walk on the fully-connected lattice with $N$ sites is first obtained by solving the eigenvalue problem associated with the discrete master equation. Then, using generating function techniques, we compute the joint probability distribution of $s$ and $r$, where $r$ is the number of sites visited only once up to time $t$. Mean values, variances and covariance are deduced from the generating functions and their finite-size-scaling behaviour is studied. Introducing properly centered and scaled variables $u$ and $v$ for $r$ and $s$ and working in the scaling limit ($t\to\infty$, $N\to\infty$ with $w=t/N$ fixed) the joint probability density of $u$ and $v$ is shown to be a bivariate Gaussian density. It follows that the fluctuations of $r$ and $s$ around their mean values in a finite-size system are Gaussian in the scaling limit. The same type of finite-size scaling is expected to hold on periodic lattices above the critical dimension $d_{\rm c}=2$.Turban, LSat, 22 Oct 2016 05:30:54 GMT12 Sep 2014arXiv:1409.3718https://cds.cern.ch/record/2226734['arXiv:1409.3718']arXiv:1409.3718Influence of the vector interaction and an external magnetic field on the isentropes near the chiral critical end point
https://cds.cern.ch/record/2226707
The location of the critical end point (CEP) and the isentropic trajectories in the QCD phase diagram are investigated. We use the (2+1) Nambu$-$Jona-Lasinio model with the Polyakov loop coupling for different scenarios, namely by imposing zero strange quark density, which is the case in the ultra relativistic heavy-ion collisions, and $\beta$-equilibrium. The influence of strong magnetic fields and of the vector interaction on the isentropic trajectories around the CEP is discussed. It is shown that the vector interaction and the magnetic field, having opposite effects on the first-order transition, affect the isentropic trajectories differently: as the vector interaction increases, the first-order transition becomes weaker and the isentropes become smoother; when a strong magnetic field is considered, the first-order transition is strengthened and the isentropes are pushed to higher temperatures. No focusing of isentropes in region towards the CEP is seen.Costa, PedroSat, 22 Oct 2016 05:29:54 GMT19 Oct 2016arXiv:1610.06433https://cds.cern.ch/record/2226707['arXiv:1610.06433']arXiv:1610.06433QCD and $\gamma\,\gamma$ studies at FCC-ee
https://cds.cern.ch/record/2226687
The Future Circular Collider (FCC) is a post-LHC project aiming at searches for physics beyond the SM in a new 80--100~km tunnel at CERN. Running in its first phase as a very-high-luminosity electron-positron collider (FCC-ee), it will provide unique possibilities for indirect searches of new phenomena through high-precision tests of the SM. In addition, by collecting tens of ab$^{-1}$ integrated luminosity in the range of center-of-mass energies $\sqrt{s}$~=90--350~GeV, the FCC-ee also offers unique physics opportunities for precise measurements of QCD phenomena and of photon-photon collisions through, literally, billions of hadronic final states as well as unprecedented large fluxes of quasireal $\gamma$'s radiated from the $\rm e^+e^-$ beams. We succinctly summarize the FCC-ee perspectives for high-precision extractions of the QCD coupling, for detailed analyses of parton radiation and fragmentation, and for SM and BSM studies through $\gamma\gamma$ collisions.Skands, Peterd'Enterria, DavidSat, 22 Oct 2016 05:29:27 GMT19 Oct 2016arXiv:1610.06254https://cds.cern.ch/record/2226687['arXiv:1610.06254']arXiv:1610.06254Spheroidal and ellipsoidal harmonic expansions of the gravitational potential of small Solar System bodies. Case study: Comet 67P/Churyumov-Gerasimenko
https://cds.cern.ch/record/2226672
Gravitational features are a fundamental source of information to learn more about the interior structure and composition of planets, moons, asteroids and comets. Gravitational field modeling typically approximates the target body with a sphere, leading to a representation in spherical harmonics. However, small celestial bodies are often irregular in shape, and hence poorly approximated by a sphere. A much better suited geometrical fit is achieved by a tri-axial ellipsoid. This is also mirrored in the fact that the associated harmonic expansion (ellipsoidal harmonics) shows a significantly better convergence behavior as opposed to spherical harmonics. Unfortunately, complex mathematics and numerical problems (arithmetic overflow) so far severely limited the applicability of ellipsoidal harmonics. In this paper, we present a method that allows expanding ellipsoidal harmonics to a considerably higher degree compared to existing techniques. We apply this novel approach to model the gravitational field of comet 67P, the final target of the Rosetta mission. The comparison of results based on the ellipsoidal parameterization with those based on the spheroidal and spherical approximations reveals that the latter is clearly inferior; the spheroidal solution, on the other hand, is virtually just as accurate as the ellipsoidal one. Finally, in order to generalize our findings, we assess the gravitational field modeling performance for some 400 small bodies in the solar system. From this investigation we generally conclude that the spheroidal representation is an attractive alternative to the complex ellipsoidal parameterization on the one hand, and the inadequate spherical representation on the other hand.Reimond, StefanBaur, OliverSat, 22 Oct 2016 05:28:26 GMT20 Oct 2016arXiv:1610.06491https://cds.cern.ch/record/2226672['arXiv:1610.06491']arXiv:1610.06491The contrivance of Neptune
https://cds.cern.ch/record/2226666
Celebrating 170th anniversary of the discovery of Neptune, I review the story of the discovery that startled the world. The story is an interplay of scientific triumph and human weakness and an example of how science works in a socio-political context.Krajnovic, DavorSat, 22 Oct 2016 05:28:19 GMT20 Oct 2016arXiv:1610.06424https://cds.cern.ch/record/2226666['arXiv:1610.06424']arXiv:1610.06424The perihelion activity of comet 67P/Churyumov-Gerasimenko as seen by robotic telescopes
https://cds.cern.ch/record/2226663
Around the time of its perihelion passage the observability of 67P/Churyumov-Gerasimenko from Earth was limited to very short windows each morning from any given site, due to the low solar elongation of the comet. The peak in the comet's activity was therefore difficult to observe with conventionally scheduled telescopes, but was possible where service/queue scheduled mode was possible, and with robotic telescopes. We describe the robotic observations that allowed us to measure the total activity of the comet around perihelion, via photometry (dust) and spectroscopy (gas), and compare these results with the measurements at this time by Rosetta's instruments. The peak of activity occurred approximately two weeks after perihelion. The total brightness (dust) largely followed the predictions from Snodgrass et al. 2013, with no significant change in total activity levels from previous apparitions. The CN gas production rate matched previous orbits near perihelion, but appeared to be relatively low later in the year.Snodgrass, ColinOpitom, Cyriellede Val-Borro, MiguelJehin, EmmanuelManfroid, JeanLister, TimMarchant, JonJones, Geraint HFitzsimmons, AlanSteele, Iain ASmith, Robert JJermak, HelenGranzer, ThomasMeech, Karen JRousselot, PhilippeLevasseur-Regourd, Anny-ChantalSat, 22 Oct 2016 05:28:19 GMT20 Oct 2016arXiv:1610.06407https://cds.cern.ch/record/2226663['arXiv:1610.06407']arXiv:1610.06407Erzählung vom CERN
https://cds.cern.ch/record/2226567
Dürrenmatt, FriedrichFri, 21 Oct 2016 10:48:30 GMThttps://cds.cern.ch/record/2226567['']The many facets of the Fabry-Perot
https://cds.cern.ch/record/2226406
We address the response, both in amplitude and intensity, of a Fabry-Perot from a variety of viewpoints. These complementary pictures conspire to achieve a comprehensive and consistent theory of the operation of this system.Sanchez-Soto, Luis LMonzon, Juan JLeuchs, GerdThu, 20 Oct 2016 06:43:46 GMT10 Oct 2016arXiv:1610.06163https://cds.cern.ch/record/2226406['arXiv:1610.06163']arXiv:1610.06163Wave turbulence in a two-layer fluid: coupling between free surface and interface waves
https://cds.cern.ch/record/2226375
We experimentally study gravity-capillary wave turbulence on the interface between two immiscible fluids of close density with free upper surface. We locally measure the wave height at the interface between both fluids by means of a highly sensitive laser Doppler vibrometer. We show that the inertial range of the capillary wave turbulence regime is significantly extended when the upper fluid depth is increased: The crossover frequency between the gravity and capillary wave turbulence regimes is found to decrease whereas the dissipative cut-off frequency of the spectrum is found to increase. We explain most of these observations by the progressive decoupling between waves propagating at the interface and the ones at the free surface, using the full dispersion relation of gravity-capillary waves in a two-layer fluid of finite depths.s.Issenmann, BrunoLaroche, ClaudeFalcon, EricThu, 20 Oct 2016 06:43:42 GMT19 Oct 2016arXiv:1610.05899https://cds.cern.ch/record/2226375['arXiv:1610.05899']arXiv:1610.05899Systolic Pressure in Different Percents of Stenosis at Major Arteries
https://cds.cern.ch/record/2226366
- Modeling Human cardiovascular system is always an important issue. One of the most effective methods is using lumped model to reach to a complete model of human cardiovascular system. Such modeling with advanced considerations is used in this paper. Some of these considerations are as follow: Exact simulating of ventricles as pressure suppliers, peristaltic motion of descending arteries as additional suppliers, and dividing each vessel into more than one compartment to reach more accurate answers. Finally a circuit with more than 150 RLC segments and different elements is made. Then the verification of our complex circuit is done and at the end, obstruction as an important abnormality is investigated. For this aim different percents of obstruction in vital arteries are considered and the results are brought as different graphs at the end. According to physiological texts the citation of our simulation and its results are obvious. To earn productive information about arteries characteristics a 36-vessels model was chosen from biological sources.Mirzaee, Mohammad RezaGhasemalizadeh, OmidFiroozabadi, BaharDandaneband, MeithamThu, 20 Oct 2016 06:43:41 GMT18 Oct 2016arXiv:1610.05826https://cds.cern.ch/record/2226366['arXiv:1610.05826']arXiv:1610.05826The cost of swimming in generalized Newtonian fluids: Experiments with C. elegans
https://cds.cern.ch/record/2226365
Numerous natural processes are contingent on microorganisms' ability to swim through fluids with non-Newtonian rheology. Here, we use the model organism Caenorhabditis elegans and tracking methods to experimentally investigate the dynamics of undulatory swimming in shear-thinning fluids. Theory and simulation have proposed that the cost of swimming, or mechanical power, should be lower in a shear-thinning fluid compared to a Newtonian fluid of the same zero-shear viscosity. We aim to provide an experimental investigation into the cost of swimming in a shear-thinning fluid from (i) an estimate of the mechanical power of the swimmer and (ii) the viscous dissipation rate of the flow field, which should yield equivalent results for a self-propelled low Reynolds number swimmer. We find the cost of swimming in shear-thinning fluids is less than or equal to the cost of swimming in Newtonian fluids of the same zero-shear viscosity; furthermore, the cost of swimming in shear-thinning fluids scales with a fluid's effective viscosity and can be predicted using fluid rheology and simple swimming kinematics. Our results agree reasonably well with previous theoretical predictions and provide a framework for understanding the cost of swimming in generalized Newtonian fluids.Gagnon, David AArratia, Paulo EThu, 20 Oct 2016 06:43:41 GMT18 Oct 2016arXiv:1610.05811https://cds.cern.ch/record/2226365['arXiv:1610.05811']arXiv:1610.05811Protease-sensitive atelocollagen hydrogels promote healing in a diabetic wound model
https://cds.cern.ch/record/2226356
The design of exudate-managing wound dressings is an established route to accelerated healing, although such design remains a challenge from material and manufacturing standpoints. Aiming towards the clinical translation of knowledge gained in vitro with highly swollen rat tail collagen hydrogels, this study investigated the healing capability in a diabetic mouse wound model of telopeptide-free, protease-inhibiting collagen networks. 4 vinylbenzylation and UV irradiation of type I atelocollagen (AC) led to hydrogel networks with chemical and macroscopic properties comparable to previous collagen analogues, attributable to similar lysine content and dichroic properties. After 4 days in vitro, hydrogels induced nearly 50 RFU% reduction in matrix metalloproteinase (MMP)-9 activity, whilst showing less than 20 wt.-% weight loss. After 20 days in vivo, dry networks promoted 99% closure of 10x10 mm full thickness wounds and accelerated neodermal tissue formation compared to Mepilex. This collagen system can be equipped with multiple, customisable properties and functions key to personalised chronic wound care.Tronci, GiuseppeYin, JieHolmes, Roisin ALiang, HeRussell, Stephen JWood, David JThu, 20 Oct 2016 06:43:40 GMT18 Oct 2016arXiv:1610.05745https://cds.cern.ch/record/2226356['arXiv:1610.05745']arXiv:1610.05745A multirate numerical scheme for large-scale vehicle traffic simulation
https://cds.cern.ch/record/2226354
Nowadays the city-wide traffic contains hundreds of thousands of vehicles with different scenarios of their behavior. If a microscopic approach is used it leads to solving tremendous systems of ordinary differential equations whose components have a wide range of variation rates. The given paper has introduced a multirate numerical scheme with a self-adjusting time stepping strategy. Instead of using a single step size for the whole system we have determined the step size for each component by estimating its own local variation. We also performed the stability analysis for the developed scheme. The presented multirate scheme provides a significant speed-up in processor times compared to the corresponding single-rate one. The use of multiple time steps admits parallel computing.Kurtc, ValentinaAnufriev, IgorThu, 20 Oct 2016 06:43:40 GMT18 Oct 2016arXiv:1610.05709https://cds.cern.ch/record/2226354['arXiv:1610.05709']arXiv:1610.05709Measurement of light diffusion in ZnO nanowire forests
https://cds.cern.ch/record/2226347
Optimum design of efficient nanowire solar cells requires better understanding of light diffusion in a nanowire array. Here we demonstrate that our recently developed ultrafast all-optical shutter can be used to directly measure the dwell time of light in a nanowire array. Our measurements on disordered ZnO nanowire arrays, "nanowire forests," indicate that the photon mean free path and the dwell time of light can be well predicted from SEM images.Versteegh, Marijn A Mvan der Wel, Ruben E CDijkhuis, Jaap IThu, 20 Oct 2016 06:43:39 GMT18 Oct 2016arXiv:1610.05658https://cds.cern.ch/record/2226347['arXiv:1610.05658']arXiv:1610.05658Capturing relativistic wake eld structures in plasmas using ultrashort high-energy electrons as a probe
https://cds.cern.ch/record/2226338
A new method capable of capturing coherent electric field structures propagating at nearly the speed of light in plasma with a time resolution as small as a few femtoseconds is proposed. This method uses a few femtoseconds long relativistic electron bunch to probe the wake produced in a plasma by an intense laser pulse or an ultra-short relativistic charged particle beam. As the probe bunch traverses the wake, its momentum is modulated by the electric field of the wake, leading to a density variation of the probe after free-space propagation. This variation of probe density produces a snapshot of the wake that can directly give many useful information of the wake structure and its evolution. Furthermore, this snapshot allows detailed mapping of the longitudinal and transverse components of the wakefield. We develop a theoretical model for field reconstruction and verify it using 3-dimensional particle-in-cell (PIC) simulations. This model can accurately reconstruct the wakefield structure in the linear regime, and it can also qualitatively map the major features of nonlinear wakes. The capturing of the injection in a nonlinear wake is demonstrated through 3D PIC simulations as an example of the applications of this new method.Zhang, C JHua, J FXu, X LLi, FPai, C -HWan, YWu, Y PGu, Y QMori, W BJoshi, CLu, WThu, 20 Oct 2016 06:43:38 GMT18 Oct 2016arXiv:1610.05602https://cds.cern.ch/record/2226338['arXiv:1610.05602']arXiv:1610.05602Effect of entropy on the nucleation of cavitation bubbles in water under tension
https://cds.cern.ch/record/2226335
Water can exist in a metastable liquid state under tension for long times before the system relaxes into the vapor via cavitation, i.e., bubble nucleation. Microscopic information on the cavitation process can be extracted from experimental data by use of the nucleation theorem, which relates measured cavitation rates to the size of the critical bubble. To apply the nucleation theorem to experiments performed along an isochoric path, for instance, in cavitation experiments in mineral inclusions, knowledge of the bubble entropy is required. Using computer simulations, we compute the entropy of bubbles in water as a function of their volume over a wide range of tensions from free energy calculations. We find that the bubble entropy is an important contribution to the free energy which significantly lowers the barrier to bubble nucleation, thereby facilitating cavitation. Furthermore, the bubble entropy per surface area depends on the curvature of the liquid--vapor interface, decreasing approximately linearly with its mean curvature over the studied range of bubble volumes. At room temperature, the entropy of a flat liquid--vapor interface at ambient pressure is very similar to that of critical bubbles over a wide range of tensions, which justifies the use of the former as an approximation when interpreting data from experiments. Based on our simulation results, we obtain an estimate for the volume of the critical bubble from experimentally measured cavitation rates.Menzl, GeorgDellago, ChristophThu, 20 Oct 2016 06:43:38 GMT18 Oct 2016arXiv:1610.05585https://cds.cern.ch/record/2226335['arXiv:1610.05585']arXiv:1610.05585FMO3-LCMO study of electron transfer coupling matrix element and pathway: Application to hole transfer between two triptophanes through cis- and trans-polyproline-linker systems
https://cds.cern.ch/record/2226329
The linear-combination of fragment molecular orbitals with three-body correction (FMO3-LCMO) is examined for electron transfer (ET) coupling matrix elements and ET pathway analysis, with application to hole transfer between two triptophanes bridged by cis- and trans-polyproline linker conformations. A projection to the minimal-valence-plus-core FMO space was found to give sufficient accuracy with significant reduction of computational cost while avoiding the problem of linear dependence of FMOs stemming from involvement of bond detached atoms.Kitoh-Nishioka, HirotakaAndo, KojiThu, 20 Oct 2016 06:43:38 GMT18 Oct 2016arXiv:1610.05535https://cds.cern.ch/record/2226329['arXiv:1610.05535']arXiv:1610.05535Diagnosis of aerospace structure defects by a HPC implemented soft computing algorithm
https://cds.cern.ch/record/2226327
This study concerns with the diagnosis of aerospace structure defects by applying a HPC parallel implementation of a novel learning algorithm, named U-BRAIN. The Soft Computing approach allows advanced multi-parameter data processing in composite materials testing. The HPC parallel implementation overcomes the limits due to the great amount of data and the complexity of data processing. Our experimental results illustrate the effectiveness of the U-BRAIN parallel implementation as defect classifier in aerospace structures. The resulting system is implemented on a Linux-based cluster with multi-core architecture.D'Angelo, GianniRampone, SalvatoreThu, 20 Oct 2016 06:43:38 GMT18 Oct 2016arXiv:1610.05521https://cds.cern.ch/record/2226327['arXiv:1610.05521']arXiv:1610.05521