Does the Halbach magnetization rotation rule that is used for designing circular magnet arrays for achieving the best homogeneity hold also for an elliptical or other non-circular cross-section? In... Show moreDoes the Halbach magnetization rotation rule that is used for designing circular magnet arrays for achieving the best homogeneity hold also for an elliptical or other non-circular cross-section? In this article, it is shown that a new numerically optimized magnetization rotation rule can provide more than three orders of magnitude improvement in field homogeneity as compared to a Halbach configuration for elliptical systems. Further it is demonstrated that such optimized magnetization rules can be easily derived in an intuitive way by studying virtual permanent magnets of a similar cross-section as the desired magnet array. This is coined as a permanent magnet hypothesis. Finally, it is shown that the applicability of this technique is not limited to circular or elliptical systems but can be applied to any arbitrarily shaped cross-section. Show less
We present a combination of a CNN-based encoder with an analytical forward map for solving inverse problems. We call it an encoder-analytic (EA) hybrid model. It does not require a dedicated... Show moreWe present a combination of a CNN-based encoder with an analytical forward map for solving inverse problems. We call it an encoder-analytic (EA) hybrid model. It does not require a dedicated training dataset and can train itself from the connected forward map in a direct learning fashion. A separate regularization term is not required either, since the forward map also acts as a regularizer. As it is not a generalization model it does not suffer from overfitting. We further show that the model can be customized to either find a specific target solution or one that follows a given heuristic. As an example, we apply this approach to the design of a multi-element surface magnet for low-field magnetic resonance imaging (MRI). We further show that the EA model can outperform the benchmark genetic algorithm model currently used for magnet design in MRI, obtaining almost 10 times better results. Show less
The aim of this work was to maximize the homogeneity of fixedor variable-diameter Halbach array of discrete magnets by optimizing the angular rotation of individual magnets within each ring of the... Show moreThe aim of this work was to maximize the homogeneity of fixedor variable-diameter Halbach array of discrete magnets by optimizing the angular rotation of individual magnets within each ring of the array. Numerical simulations have been performed for magnet arrays with various length:radius ratios (L/R) using a dipole-approximation model. These simulations used an uninformed random-search algorithm, with the initial state corresponding to the classical Halbach dipole configuration. Two different classes of systems were studied, one with magnet rings of constant radius, and the other in which the radius of the rings was allowed to vary to increase the homogeneity. Simulation results showed that for a fixed-diameter array optimization of the angular orientation of individual magnets increased the homogeneity by-17% for very short magnets, with the improvement dropping to-5% for L/R values greater than-3:1, where the homogeneity was measured over a region-of-interest equal to one-half the diameter of the magnet array. An empirical formula was derived which allows easy estimation of the required magnetization angles for any L/R. For a 23-ring variable diameter magnet with L/R of-4:1 the optimization procedure produces an increase in homogeneity of-18%.(c) 2021 The Author(s). Published by Elsevier Inc. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). Show less
Evers, F.; Korytar, R.; Tewari, S.; Ruitenbeek, J.M. van 2020
Electronic transport properties of single-molecule junctions have been widely measured by several techniques, including mechanically controllable break junctions, electromigration break junctions,... Show moreElectronic transport properties of single-molecule junctions have been widely measured by several techniques, including mechanically controllable break junctions, electromigration break junctions, and by means of scanning tunneling microscopes. In parallel, many theoretical tools have been developed and refined for describing such transport properties and for obtaining numerical predictions. Most prominent among these theoretical tools are those based upon density functional theory. In this review, theory and experiment are critically compared, and this confrontation leads to several important conclusions. The theoretically predicted trends nowadays reproduce the experimental findings well for series of molecules with a single well-defined control parameter, such as the length of the molecules. The quantitative agreement between theory and experiment usually is less convincing, however. Two main sources for the quantitative discrepancies can be identified. Experimentally, the atomic structure of the junction typically realized in the measurement is not well known, so simulations rely on plausible scenarios. In theory, correlation effects can be included only in approximations that are difficult to control for experimentally relevant situations. Therefore, one typically expects qualitative agreement with present modeling tools; in exceptional cases a quantitative agreement has already been achieved. For further progress, benchmark systems are required that are sufficiently well defined by experiment to allow quantitative testing of the approximation schemes underlying the theoretical modeling. Several key experiments can be identified suggesting that the present description may even be qualitatively incomplete in some cases. Such key experimental observations and their current models are also discussed here, leading to several suggestions for extensions of the models toward including dynamic image charges, electron correlations, and polaron formation. Show less
Evers, F.; Korytár, R.; Tewari, S.; Ruitenbeek, J.M. van 2020
A new way to control individual molecules and monoatomic chains is devised by preparing a human–machine augmented system in which the operator and the machine are connected by a real-time... Show moreA new way to control individual molecules and monoatomic chains is devised by preparing a human–machine augmented system in which the operator and the machine are connected by a real-time simulation. Here, a 3D motion control system is integrated with an ultra-high vacuum (UHV) low-temperature scanning tunnelling microscope (STM). Moreover, we coupled a real-time molecular dynamics (MD) simulation to the motion control system that provides a continuous visual feedback to the operator during atomic manipulation. This allows the operator to become a part of the experiment and to make any adaptable tip trajectory that could be useful for atomic manipulation in three dimensions. The strength of this system is demonstrated by preparing and lifting a monoatomic chain of gold atoms from a Au(111) surface in a well-controlled manner. We have demonstrated the existence of Fabry–Pérot-type electronic oscillations in such a monoatomic chain of gold atoms and determined its phase, which was difficult to ascertain previously. We also show here a new geometric procedure to infer the adatom positions and therefore information about the substrate atoms, which are not easily visible on clean metallic surfaces such as gold. This method enables a new controlled atom manipulation technique, which we will refer to as point contact pushing (PCP) technique. Show less
Atoms and molecules are the basic units of matter. If we keep dividing a bar of gold or a glass of water into smaller parts, at the end we are left with a single gold atom or a water molecule. We... Show moreAtoms and molecules are the basic units of matter. If we keep dividing a bar of gold or a glass of water into smaller parts, at the end we are left with a single gold atom or a water molecule. We could not divide them further without them losing their identity. Molecular electronics is the study of how electrons, which are fundamental particles in nature, flow through these basic units of the matter once connected between two electrical leads. At such small dimensions matter starts to lose its macroscopic properties and its behaviour is governed by the rules of quantum mechanics. A molecule can have various electronic and mechanical degrees of freedom (or eigenstates) with discrete energies. The electrons flowing through the molecule can interact with these degrees of freedom making single molecule devices. Better control and understanding of these interactions and study of how the atomic structure of the macroscopic electrical leads affect the electronic-transport forms the main focus of this thesis. Controlled manipulation of single atoms and molecules using a low-temperature scanning tunnelling microscope, probing charge transport using high-frequency shot-noise measurement and the use of graphene as possible electrodes are the three directions which are investigated here. Show less
Vreumingen, D. van; Tewari, S.; Verbeek, F.J.; Ruitenbeek, J.M. van 2018
We demonstrate that the notched-wire mechanically controllable break junction technique can be exploited for the study of single molecule junctions. We have developed a protocol for deposition of... Show moreWe demonstrate that the notched-wire mechanically controllable break junction technique can be exploited for the study of single molecule junctions. We have developed a protocol for deposition of thiol-coupled molecules onto Au electrodes from solution. We find surprisingly sharp conductance historgrams at low temperatures, which suggest that the commonly observed large width of the peaks in conductance historgams is the result of inhomogeneous broadening. Show less
Tewari, S.; Sabater Piqueres, C.; Kumar, M.; Stahl, S.; Crama, L.; Ruitenbeek, J.M. van 2017
