arXiv subjects

F. Sciortino

Publications and source records attributed to F. Sciortino.

At least 19 recordsLinked to original sources

arXiv2024

Enhanced pedestal transport driven by edge collisionality on Alcator C-Mod and its role in regulating H-mode pedestal gradients

Experimental measurements of plasma and neutral profiles across the pedestal are used in conjunction with 2D edge modeling to examine pedestal stiffness in Alcator C-Mod H-mode plasmas. Experiments on Alcator C-Mod observed pedestal degradation and loss in confinement below a critical value of net power crossing the separatrix, $P_\mathrm{net} = P_\mathrm{net}^\mathrm{crit} \approx 2.3$ MW. New analysis of ionization and particle flux profiles reveal saturation of the pedestal electron density, $n_{e}^\mathrm{ped}$ despite continuous increases in ionization throughout the pedestal, inversely related to $P_\mathrm{net}$. A limit to the pedestal $\nabla n_{e}$ emerges as the particle flux, $Γ_{D}$ continues to grow, implying increases in the effective particle diffusivity, $D_\mathrm{eff}$. This is well-correlated with the separatrix collisionality, $ν^{*}_\mathrm{sep}$ and a turbulence control parameter, $α_{t}$, implying a possible transition in type of turbulence. The transition is well correlated with the experimentally observed value of $P_\mathrm{net}^\mathrm{crit}$. SOLPS-ITER modeling is performed for select discharges from the power scan, constrained with experimental electron and neutral densities, measured at the outer midplane. The modeling confirms general growth in $D_\mathrm{eff}$, consistent with experimental findings, and additionally suggests even larger growth in $χ_{e}$ at the same $P_\mathrm{net}^\mathrm{crit}$.

physics.plasm-ph↗

arXiv2024

Comparison of detachment in Ohmic plasmas with positive and negative triangularity

In recent years, negative triangularity (NT) has emerged as a potential high-confinement L-mode reactor solution. In this work, detachment is investigated using core density ramps in lower single null Ohmic L-mode plasmas across a wide range of upper, lower, and average triangularity (the mean of upper and lower triangularity: $δ$) in the TCV tokamak. It is universally found that detachment is more difficult to access for NT shaping. The outer divertor leg of discharges with $δ\approx -0.3$ could not be cooled to below $5~\mathrm{eV}$ through core density ramps alone. The behavior of the upstream plasma and geometrical divertor effects (e.g. a reduced connection length with negative lower triangularity) do not fully explain the challenges in detaching NT plasmas. Langmuir probe measurements of the target heat flux widths ($λ_q$) were constant to within 30% across an upper triangularity scan, while the spreading factor $S$ was lower by up to 50% for NT, indicating a generally lower integral Scrape-Off Layer width, $λ_{int}$. The line-averaged core density was typically higher for NT discharges for a given fuelling rate, possibly linked to higher particle confinement in NT. Conversely, the divertor neutral pressure and integrated particle fluxes to the targets were typically lower for the same line-averaged density, indicating that NT configurations may be closer to the sheath-limited regime than their PT counterparts, which may explain why NT is more challenging to detach.

physics.plasm-ph↗

arXiv2021

Building up DNA, bit by bit: a simple description of chain assembly

We simulate the assembly of DNA copolymers from two types of short duplexes (short double strands with a single-stranded overhang at each end), as described by the oxDNA model. We find that the statistics of chain lengths can be well reproduced by a simple theory that treats the association of particles into ideal (i.e., non-interacting) clusters as a reversible chemical reaction. The reaction constants can be predicted either from Santalucia's theory or from Wertheim's thermodynamic perturbation theory of association for spherical patchy particles. Our results suggest that theories incorporating very limited molecular detail may be useful for predicting the broad equilibrium features of copolymerisation.

cond-mat.soft↗

arXiv2021

Experimental Inference of Neutral and Impurity Transport in Alcator C-Mod Using High-Resolution X-Ray and Ultra-Violet Spectra

We present experimental inferences of cross-field impurity transport coefficients for Alcator C-Mod plasmas using a novel forward model for the entire Ca K-alpha spectrum, including satellite lines within the spectral range, to compare to high-resolution X-ray Imaging Crystal Spectroscopy (XICS). These measurements are complemented by Extreme Ultra-Violet (EUV) spectroscopy that constrains transport closer to the edge. Using new atomic data sets for both XICS and EUV analysis has enabled consideration of line ratios across both spectral ranges and has increased the accuracy of inferred transport coefficients. Inclusion of charge exchange between edge thermal neutrals and impurities is shown to be extremely important in C-Mod pedestals. We obtain D atomic neutral densities from experimental D Ly-alpha measurements at the midplane and compare these to SOLPS-ITER simulations, finding good agreement. Bayesian inferences of impurity transport coefficients are presented for L-, EDA H-, and I-mode discharges, making use of the Aurora package for forward modeling and combining our spectroscopic constraints. Experimentally inferred diffusion profiles are found to match turbulent transport models at midradius within uncertainties, using both quasilinear gyro-fluid TGLF SAT-1 and nonlinear ion-scale gyrokinetic CGYRO simulations. Significant discrepancies in convection are observed in some cases, suggesting difficulties in predictions of flat or hollow impurity profiles.

physics.plasm-ph↗

arXiv2021

Modeling of Particle Transport, Neutrals and Radiation in Magnetically-Confined Plasmas with Aurora

We present Aurora, an open-source package for particle transport, neutrals and radiation modeling in magnetic confinement fusion plasmas. Aurora's modern multi-language interface enables simulations of 1.5D impurity transport within high-performance computing frameworks, particularly for the inference of particle transport coefficients. A user-friendly Python library allows simple interaction with atomic rates from the Atomic Data and Atomic Structure database as well as other sources. This enables a range of radiation predictions, both for power balance and spectroscopic analysis. We discuss here the superstaging approximation for complex ions, as a way to group charge states and reduce computational cost, demonstrating its wide applicability within the Aurora forward model and beyond. Aurora also facilitates neutral particle analysis, both from experimental spectroscopic data and other simulation codes. Leveraging Aurora's capabilities to interface SOLPS-ITER results, we demonstrate that charge exchange is unlikely to affect the total radiated power from the ITER core during high performance operation. Finally, we describe the ImpRad module in the OMFIT framework, developed to enable experimental analysis and transport inferences on multiple devices using Aurora.

physics.plasm-ph↗

arXiv2020

Inference of Experimental Radial Impurity Transport on Alcator C-Mod: Bayesian Parameter Estimation and Model Selection

We present a fully Bayesian approach for the inference of radial profiles of impurity transport coefficients and compare its results to neoclassical, gyrofluid and gyrokinetic modeling. Using nested sampling, the Bayesian Impurity Transport InferencE (BITE) framework can handle complex parameter spaces with multiple possible solutions, offering great advantages in interpretative power and reliability with respect to previously demonstrated methods. BITE employs a forward model based on the pySTRAHL package, built on the success of the well-known STRAHL code [Dux, IPP Report, 2004], to simulate impurity transport in magnetically-confined plasmas. In this paper, we focus on calcium (Ca, Z=20) Laser Blow-Off injections into Alcator C-Mod plasmas. Multiple Ca atomic lines are diagnosed via high-resolution X-ray Imaging Crystal Spectroscopy and Vacuum Ultra-Violet measurements. We analyze a sawtoothing I-mode discharge for which neoclassical and turbulent (quasilinear and nonlinear) predictions are also obtained. We find good agreement in diffusion across the entire radial extent, while turbulent convection and density profile peaking are estimated to be larger in experiment than suggested by theory. Efforts and challenges associated with the inference of experimental pedestal impurity transport are discussed.

physics.plasm-ph↗

arXiv2019

Neutron diagnostics for the physics of a high-field, compact, $Q\geq1$ tokamak

Advancements in high temperature superconducting technology have opened a path toward high-field, compact fusion devices. This new parameter space introduces both opportunities and challenges for diagnosis of the plasma. This paper presents a physics review of a neutron diagnostic suite for a SPARC-like tokamak [Greenwald et al 2018 doi:10.7910/DVN/OYYBNU]. A notional neutronics model was constructed using plasma parameters from a conceptual device, called the MQ1 (Mission $Q \geq 1$) tokamak. The suite includes time-resolved micro-fission chamber (MFC) neutron flux monitors, energy-resolved radial and tangential magnetic proton recoil (MPR) neutron spectrometers, and a neutron camera system (radial and off-vertical) for spatially-resolved measurements of neutron emissivity. Geometries of the tokamak, neutron source, and diagnostics were modeled in the Monte Carlo N-Particle transport code MCNP6 to simulate expected signal and background levels of particle fluxes and energy spectra. From these, measurements of fusion power, neutron flux and fluence are feasible by the MFCs, and the number of independent measurements required for 95% confidence of a fusion gain $Q \geq 1$ is assessed. The MPR spectrometer is found to consistently overpredict the ion temperature and also have a 1000$\times$ improved detection of alpha knock-on neutrons compared to previous experiments. The deuterium-tritium fuel density ratio, however, is measurable in this setup only for trace levels of tritium, with an upper limit of $n_T/n_D \approx 6\%$, motivating further diagnostic exploration. Finally, modeling suggests that in order to adequately measure the self-heating profile, the neutron camera system will require energy and pulse-shape discrimination to suppress otherwise overwhelming fluxes of low energy neutrons and gamma radiation. *Co-first-authorship

physics.plasm-ph↗

arXiv2010

Interaction between like-charged polyelectrolyte-colloid complexes in electrolyte solutions: a Monte Carlo simulation study in the Debye-Hückel approximation

We study the effective interaction between differently charged polyelectrolyte-colloid complexes in electrolyte solutions via Monte Carlo simulations. These complexes are formed when short and flexible polyelectrolyte chains adsorb onto oppositely charged colloidal spheres, dispersed in an electrolyte solution. In our simulations the bending energy between adjacent monomers is small compared to the electrostatic energy, and the chains, once adsorbed, do not exchange with the solution, although they rearrange on the particles surface to accomodate further adsorbing chains or due to the electrostatic interaction with neighbor complexes. Rather unexpectedly, when two interacting particles approach each others, the rearrangement of the surface charge distribution invariably produces anti-parallel dipolar doublets, that invert their orientation at the isoelectric point. These findings clearly rule out a contribution of dipole-dipole interactions to the observed attractive interaction between the complexes, pointing out that such suspensions can not be considered dipolar fluids. On varying the ionic strength of the electrolyte, we find that a screening length, short compared with the size of the colloidal particles, is required in order to observe the attraction between like charged complexes due to the non-uniform distribution of the electric charge on their surface ('patch attraction'). On the other hand, by changing the polyelectrolyte/particle charge ratio, the interaction between like-charged polyelectrolyte-decorated (pd) particles, at short separations, evolves from purely repulsive to strongly attractive. Hence, the effective interaction between the complexes is characterized by a potential barrier, whose height depends on the net charge and on the non-uniformity of their surface charge distribution.

cond-mat.soft↗

arXiv2010

Nanoflows through disordered media: a joint Lattice Boltzmann and Molecular Dynamics investigation

We investigate nanoflows through dilute disordered media by means of joint lattice Boltzmann (LB) and molecular dynamics (MD) simulations -- when the size of the obstacles is comparable to the size of the flowing particles -- for randomly located spheres and for a correlated particle-gel. In both cases at sufficiently low solid fraction, $Φ<0.01$, LB and MD provide similar values of the permeability. However, for $Φ> 0.01$, MD shows that molecular size effects lead to a decrease of the permeability, as compared to the Navier-Stokes predictions. For gels, the simulations highlights a surplus of permeability, which can be accommodated within a rescaling of the effective radius of the gel monomers.

cond-mat.mes-hall↗

arXiv2008

Kinetic Arrest in Polyion-Induced Inhomogeneously-Charged Colloidal Particle Aggregation

Polymer chains adsorbed onto oppositely charged spherical colloidal particles can significantly modify the particle-particle interactions. For sufficient amounts of added polymers, the original electrostatic repulsion can even turn into an effective attraction and relatively large kinetically stable aggregates can form which display several unexpected and interesting peculiarities and some intriguing biotechnological implications. The attractive interaction contribution between two oppositely particles arises from the correlated adsorption of polyions at the oppositely charged particle surfaces, resulting in a non-homogeneous surface charge distribution. Here, we investigate the aggregation kinetics of polyion-induced colloidal complexes through Monte Carlo simulation, in which the effect of charge anisotropy is taken into account by a DLVO-like intra-particle potential, as recentely proposed by Velegol and Thwar [D. Velegol and P.K. Thwar, Langmuir, 17, 2001]. The results reveal that in the presence of a charge heterogeneity the aggregation process slows down due to the progressive increase of the potential barrier height upon clustering. Within this framework, the experimentally observed cluster phases in polyelectrolyte-liposomes solutions should be considered as a kinetic arrested state.

cond-mat.soft↗

arXiv2007

The vanishing limit of the square-well fluid: the adhesive hard sphere model as a reference system

We report a simulation study of the gas-liquid critical point for the square-well potential, for values of well width delta as small as 0.005 times the particle diameter sigma. For small delta, the reduced second virial coefficient at the critical point B_2*c is found to depend linearly on delta. The observed weak linear dependence is not sufficient to produce any significant observable effect if the critical temperature T_c is estimated via a constant B_2*c assumption, due to the highly non linear transformation between B_2*c and T_c. This explains the previously observed validity of the law of corresponding states. The critical density rho_c is also found to be constant when measured in units of the cubed average distance between two bonded particles (1+0.5 delta)/sigma. The possibility of describing the delta -> 0 dependence with precise functional forms provides improved acccurate estimates of the critical parameters of the adhesive hard-sphere AHS model.

cond-mat.soft↗

arXiv2007

Dynamics of uniaxial hard ellipsoids

We study the dynamics of monodisperse hard ellipsoids via a new event-driven molecular dynamics algorithm as a function of volume fraction $ϕ$ and aspect ratio $X_0$. We evaluate the translational $D_{trans}$ and the rotational $D_{rot}$ diffusion coefficient and the associated isodiffusivity lines in the $ϕ-X_0$ plane. We observe a decoupling of the translational and rotational dynamics which generates an almost perpendicular crossing of the $D_{trans}$ and $D_{rot}$ isodiffusivity lines. While the self intermediate scattering function exhibits stretched relaxation, i.e. glassy dynamics, only for large $ϕ$ and $X_0 \approx 1$, the second order orientational correlator $C_2(t)$ shows stretching only for large and small $X_0$ values. We discuss these findings in the context of a possible pre-nematic order driven glass transition.

cond-mat.soft↗

arXiv2007

Gas-Liquid Coexistence in the Primitive Model for Water

We evaluate the location of the gas-liquid coexistence line and of the associated critical point for the primitive model for water (PMW), introduced by Kolafa and Nezbeda [J. Kolafa and I. Nezbeda, Mol. Phys. 61, 161 (1987)]. Besides being a simple model for a molecular network forming liquid, the PMW is representative of patchy proteins and novel colloidal particles interacting with localized directional short-range attractions. We show that the gas-liquid phase separation is metastable, i.e. it takes place in the region of the phase diagram where the crystal phase is thermodynamically favored, as in the case of articles interacting via short-range attractive spherical potentials. Differently from spherical potentials, we do not observe crystallization close to the critical point. The region of gas-liquid instability of this patchy model is significantly reduced as compared to equivalent models of spherically interacting particles, confirming the possibility of observing kinetic arrest in an homogeneous sample driven by bonding as opposed to packing.

cond-mat.soft↗

arXiv2007

Glass transition line in C60: a mode-coupling/molecular-dynamics study

We report a study of the mode-coupling theory (MCT) glass transition line for the Girifalco model of C60 fullerene. The equilibrium static structure factor of the model, the only required input for the MCT calculations, is provided by molecular dynamics simulations. The glass transition line develops inside the metastable liquid-solid coexistence region and extends down in temperature, terminating on the liquid sideof the metastable portion of the liquid-vapor binodal. The vitrification locus does not show re-entrant behavior. A comparison with previous computer simulation estimates of the location of the glass line suggests that the theory accurately reproduces the shape of the arrest line in the density-temperature plane. The theoretical HNC and MHNC structure factors (and consequently the corresponding MCT glass line) compare well with the numerical counterpart. These evidences confirm the conclusion drawn in previous works about the existence of a glassy phase for the fullerene model at issue.

cond-mat.soft↗

arXiv2007

Self-Assembly of Patchy Particles into Polymer Chains: A Parameter-Free Comparison between Wertheim Theory and Monte Carlo Simulation

We numerically study a simple fluid composed of particles having a hard-core repulsion, complemented by two short-ranged attractive (sticky) spots at the particle poles, which provides a simple model for equilibrium polymerization of linear chains. The simplicity of the model allows for a close comparison, with no fitting parameters, between simulations and theoretical predictions based on the Wertheim perturbation theory, a unique framework for the analytic prediction of the properties of self-assembling particle systems in terms of molecular parameter and liquid state correlation functions. This theory has not been subjected to stringent tests against simulation data for ordering across the polymerization transition. We numerically determine many of the thermodynamic properties governing this basic form of self-assembly (energy per particle, order parameter or average fraction of particles in the associated state, average chain length, chain length distribution, average end-to-end distance of the chains, and the static structure factor) and find that predictions of the Wertheim theory accord remarkably well with the simulation results.

cond-mat.soft↗

arXiv2006

Noro-Frenkel scaling in short-range square well: A Potential Energy Landscape study

We study the statistical properties of the potential energy landscape of a system of particles interacting via a very short-range square-well potential (of depth $-u_0$), as a function of the range of attraction $Δ$ to provide thermodynamic insights of the Noro and Frenkel [ M.G. Noro and D. Frenkel, J.Chem.Phys. {\bf 113}, 2941 (2000)] scaling. We exactly evaluate the basin free energy and show that it can be separated into a {\it vibrational} ($Δ$-dependent) and a {\it floppy} ($Δ$-independent) component. We also show that the partition function is a function of $Δe^{βu_o}$, explaining the equivalence of the thermodynamics for systems characterized by the same second virial coefficient. An outcome of our approach is the possibility of counting the number of floppy modes (and their entropy).

cond-mat.dis-nn↗

arXiv2006

Aging in a Laponite colloidal suspension: A Brownian dynamics simulation study

We report Brownian dynamics simulation of the out-of-equilibrium dynamics (aging) in a colloidal suspension composed of rigid charged disks, one possible model for Laponite, a synthetic clay deeply investigated in the last few years by means of various experimental techniques. At variance with previous numerical investigations, mainly focusing on static structure and equilibrium dynamics, we explore the out-of-equilibrium aging dynamics. We analyze the wave-vector and waiting time dependence of the dynamics, focusing on the single-particle and collective density fluctuations (intermediate scattering functions), the mean squared displacement and the rotational dynamics. Our findings confirm the complexity of the out-of-equilibrium dynamical behavior of this class of colloidal suspensions and suggest that an arrested disordered state driven by a repulsive Yukawa potential, i.e., a Wigner glass can be observed in this model.

cond-mat.soft↗

arXiv2006

Slow dynamics in a primitive tetrahedral network model

We report extensive Monte Carlo and event-driven molecular dynamics simulations of the fluid and liquid phase of a primitive model for silica recently introduced by Ford, Auerbach and Monson [J. Chem. Phys. 17, 8415 (2004)]. We evaluate the iso-diffusivity lines in the temperature-density plane to provide an indication of the shape of the glass transition line. Except for large densities, arrest is driven by the onset of the tetrahedral bonding pattern and the resulting dynamics is strong in the Angell's classification scheme. We compare structural and dynamic properties with corresponding results of two recently studied primitive models of network forming liquids -- a primitive model for water and a angular-constraint free model of four-coordinated particles -- to pin down the role of the geometric constraints associated to the bonding. Eventually we discuss the similarities between "glass" formation in network forming liquids and "gel" formation in colloidal dispersions of patchy particles.

cond-mat.soft↗