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Experimental and Computational Exploration of the NaF-ThF₄Fuel System: Structure and Thermochemistry

Schreuder, Maarten B.J.W. (author), Ocadiz flores, J.A. (author), Gheribi, Aimen E. (author), Beneš, Ondrej (author), Griveau, Jean Christophe (author), Colineau, Eric (author), Konings, R. (author), Smith, A.L. (author)

The structural, thermochemical, and thermophysical properties of the NaF-ThF4 fuel system were studied with experimental methods and molecular dynamics (MD) simulations. Equilibrium MD (EMD) simulations using the polarizable ion model were performed to calculate the density, molar volume, thermal expansion, mixing enthalpy, heat capacity, and...

journal article 2021

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Coupled structural-thermodynamic modelling of the molten salt system NaCl-UCl₃

van Oudenaren, G. I.L. (author), Ocadiz flores, J.A. (author), Smith, A.L. (author)

Molten chloride salts are ionic liquids in which the anions and cations exhibit network formation. An attractive salt system for use in molten salt reactors is NaCl-UCl₃, an ionic liquid with complex non-ideal thermodynamic behaviour due to the formation of short-range order. The relationship between local structure and...

journal article 2021

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Drift correction in localization microscopy using entropy minimization

Cnossen, J.P. (author), Cui, Tao Ju (author), Joo, C. (author), Smith, C.S. (author)

Localization microscopy offers resolutions down to a single nanometer but currently requires additional dedicated hardware or fiducial markers to reduce resolution loss from the drift of the sample. Drift estimation without fiducial markers is typically implemented using redundant cross correlation (RCC). We show that RCC has sub-optimal...

journal article 2021

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High Indirect Energy Consumption in AEM-Based CO₂Electrolyzers Demonstrates the Potential of Bipolar Membranes

Blommaert, M.A. (author), Subramanian, S.S. (author), Yang, K. (author), Smith, W.A. (author), Vermaas, D.A. (author)

Typically, anion exchange membranes (AEMs) are used in CO2 electrolyzers, but those suffer from unwanted CO2 crossover, implying (indirect) energy consumption for generating an excess of CO2 feed and purification of the KOH anolyte. As an alternative, bipolar membranes (BPMs) have been suggested, which mitigate the reactant loss by...

journal article 2021

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Theoretical minimum uncertainty of single-molecule localizations using a single-photon avalanche diode array

Houwink, Quint (author), Kalisvaart, D. (author), Hung, S. (author), Cnossen, J.P. (author), Fan, D. (author), Mos, Paul (author), Ülkü, Arin Can (author), Bruschini, Claudio (author), Charbon-Iwasaki-Charbon, E. (author), Smith, C.S. (author)

Single-photon avalanche diode (SPAD) arrays can be used for single-molecule localization microscopy (SMLM) because of their high frame rate and lack of readout noise. SPAD arrays have a binary frame output, which means photon arrivals should be described as a binomial process rather than a Poissonian process. Consequentially, the theoretical...

journal article 2021

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Examination of the short-range structure of molten salts: ThF₄, UF₄, and related alkali actinide fluoride systems

Ocadiz flores, J.A. (author), Gheribi, A. E. (author), Vlieland, J. (author), de Haas, D.W. (author), Dardenne, K. (author), Rothe, J. (author), Konings, R. (author), Smith, A.L. (author)

The short-range structures of LiF-ThF4, NaF-AnF4, KF-AnF4, and Cs-AnF4 (An = Th, U), were probed using in situ high temperature Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. Signally, the EXAFS spectra of pure molten ThF4 and UF4 were measured for the first time. The data were interpreted with the aid of Molecular Dynamics ...

journal article 2021

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Operando Topography and Mechanical Property Mapping of CO₂Reduction Gas-Diffusion Electrodes Operating at High Current Densities

Nesbitt, N.T. (author), Smith, W.A. (author)

Electrochemical atomic force microscopy (EC-AFM) enables measurement of electrode topography and mechanical properties during electrochemical reactions. However, for aqueous-based reactions that make gas products, such as CO2 reduction and water splitting into CO/H2, current densities below 1 mA cm-2 have been necessary to prevent formation...

journal article 2021

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New insights and coupled modelling of the structural and thermodynamic properties of the LiF-UF4 system

Ocadiz flores, J.A. (author), Gheribi, A. E. (author), Vlieland, J. (author), Dardenne, K. (author), Rothe, J. (author), Konings, R. (author), Smith, A.L. (author)

© 2021 The Authors LiF-UF4 is a key binary system for molten fluoride reactor technology, which has not been scrutinized as thoroughly as the closely related LiF-ThF4 system. The phase diagram equilibria in the system LiF-UF4 are explored in this work with X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The short-range...

journal article 2021

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Accelerating ¹H NMR Detection of Aqueous Ammonia

Kolen, M. (author), Smith, W.A. (author), Mulder, F.M. (author)

Direct electrolytic N2 reduction to ammonia (NH3) is a renewable alternative to the Haber-Bosch process. The activity and selectivity of electrocatalysts are evaluated by measuring the amount of NH3 in the electrolyte. Quantitative 1H nuclear magnetic resonance (qNMR) detection reduces the bench time to analyze samples of NH3 (present in the...

journal article 2021

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The microscopic distribution of hydrophilic polymers in interpenetrating polymer networks (IPNs) of medical grade silicone

Smith, Gregory N. (author), Brok, Erik (author), Schmiele, Martin (author), Mortensen, Kell (author), Bouwman, W.G. (author), Duif, C.P. (author), Hassenkam, Tue (author), Alm, Martin (author), Thomsen, Peter (author), Arleth, Lise (author)

By introducing hydrophilic polymers into silicone medical devices, highly beneficial biomedical properties can be realized. An established solution to introduce hydrophilic polymers is to form an interpenetrating polymer network (IPN) by performing the hydrogel synthesis in the presence of silicone swollen in supercritical carbon dioxide. The...

journal article 2021

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Selective dendritic localization of mRNA in drosophila mushroom body output neurons

Mitchell, Jessica (author), Smith, C.S. (author), Titlow, Josh (author), Otto, Nils (author), van Velde, P.F. (author), Booth, Martin (author), Davis, Ilan (author), Waddell, Scott (author)

Memory-relevant neuronal plasticity is believed to require local translation of new proteins at synapses. Understanding this process requires the visualization of the relevant mRNAs within these neuronal compartments. Here, we used single-molecule fluorescence in situ hybridization to localize mRNAs at subcellular resolution in the adult...

journal article 2021

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Structured illumination microscopy with noise-controlled image reconstructions

Smith, C.S. (author), Slotman, Johan A. (author), Schermelleh, Lothar (author), Chakrova, N. (author), Hari, S. (author), Vos, Y. (author), Hagen, C.W. (author), Houtsmuller, A.B. (author), Hoogenboom, J.P. (author), Stallinga, S. (author)

Super-resolution structured illumination microscopy (SIM) has become a widely used method for biological imaging. Standard reconstruction algorithms, however, are prone to generate noise-specific artifacts that limit their applicability for lower signal-to-noise data. Here we present a physically realistic noise model that explains the...

journal article 2021

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Thermodynamic Description of the ACl-ThCl4 (A = Li, Na, K) Systems

Ocadiz flores, J.A. (author), Rooijakkers, B.A.S. (author), Konings, R. (author), Smith, A.L. (author)

The ACl-ThCl (Formula presented.) (A = Li, Na, K) systems could be of relevance to the nuclear industry in the near future. A thermodynamic investigation of the three binary systems is presented herein. The excess Gibbs energy of the liquid solutions is described using the quasi-chemical formalism in the quadruplet approximation. The phase...

journal article 2021

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The second-order effect of Earth’s rotation on Cryosat-2 fully focused SAR processing

Kleinherenbrink, M. (author), Smith, Walter H.F. (author), Naeije, M.C. (author), Slobbe, D.C. (author), Hoogeboom, P. (author)

We investigated the sensitivity of fully focused SAR (FF-SAR) processing of Cryosat-2 altimeter data to Earth rotation. Earth’s rotation causes scatterers at varying cross-track locations to have a different relative velocity with respect to the satellite. This second-order effect of Earth rotation on the phase is currently not corrected for...

journal article 2020

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Hidden Figures of Photo-charging: a thermo-electrochemical approach for a solar-rechargeable redox flow cell system

Bae, D. (author), Faasse, Richard (author), Smith, W.A. (author)

Achieving high current densities without thermal performance degradation at high temperatures is one of the main challenges for enhancing the competitiveness of photo-electrochemical energy storage systems. We describe a system that overcomes this challenge by incorporating an integrated photoelectrode with a redox flow cell, which functions...

journal article 2020

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The performance of CryoSat-2 fully-focussed SAR for inland water-level estimation

Kleinherenbrink, M. (author), Naeije, M.C. (author), Slobbe, D.C. (author), Egido, Alejandro (author), Smith, Walter (author)

This paper applies the Fully-Focussed SAR (FF-SAR) algorithm to CryoSat-2 full-bit-rate data to measure water levels of lakes and canals in the Netherlands, and validates these measurements by comparing them to heights measured by gauges. Over Lake IJssel, a medium-sized lake, the FF-SAR height is biased about 6 cm below the gauge height, and...

journal article 2020

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Accelerating short range MIMO imaging with optimized Fourier processing

Fromentèze, Thomas (author), Yurduseven, Okan (author), Berland, Fabien (author), Decroze, Cyril (author), Smith, David R. (author), Yarovoy, Alexander (author)

In this paper, we describe the recent development of new algorithms applied to short-range radar imaging. Facing the limitations of classical backpropagation algorithms, the use of techniques based on Fast Fourier Transforms has led to substantial image computation accelerations, especially for Multiple-Input Multiple-Output systems. The...

journal article 2020

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Liquid-Solid Boundaries Dominate Activity of CO₂Reduction on Gas-Diffusion Electrodes

Nesbitt, Nathan T. (author), Burdyny, T.E. (author), Salvatore, Danielle (author), Bohra, D. (author), Kas, Recep (author), Smith, W.A. (author)

Electrochemical CO2 electrolysis to produce hydrocarbon fuels or material feedstocks offers a renewable alternative to fossilized carbon sources. Gas-diffusion electrodes (GDEs), composed of solid electrocatalysts on porous supports positioned near the interface of a conducting electrolyte and CO2 gas, have been able to demonstrate the...

journal article 2020

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Thermodynamic assessment of the KF-ThF₄, LiF-KF-ThF₄ and NaF-KF-ThF₄ systems

Ocadiz flores, J.A. (author), Carré, E. (author), Griveau, J. C. (author), Colineau, E. (author), Capelli, E. (author), Souček, P. (author), Beneš, O. (author), Smith, A.L. (author)

A thermodynamic assessment of the KF-ThF₄ binary system using the CALPHAD method is presented, where the liquid solution is described by the modified quasichemical formalism in the quadruplet approximation. The optimization of the phase diagram is based on experimental data reported in the literature and newly measured X-ray...

journal article 2020

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Competition and Interhalogen Formation during Parallel Electrocatalytic Oxidation of Bromide and Chloride on Pt

Vos, Johannes G. (author), Venugopal, A. (author), Smith, W.A. (author), Koper, Marc T.M. (author)

Hydrogen production from seawater electrolysis is highly promising for the capture and storage of intermittent renewable energy, but is hindered by the possibility of unwanted reactions at the anode. The oxidation reactions of chloride and (to a lesser extent) bromide, which can occur in parallel to the evolution of oxygen, lead to...

journal article 2020