Non-Conventional PJVS Exploiting First and Second Steps to Reduce Junctions and Bias Lines

Quantum digital-to-analog converters (DACs) based on programmable Josephson array [Programmable Josephson Voltage Standard (PJVS)] represent the most widely used quantum standard in ac voltage calibrations. The extension of PJVS frequency above the kilohertz range appears to be arduous; however, some enhancements are still practicable. In this work, we demonstrate the possibility to advantageously operate a conventional binary-divided PJVS array with a reduced number of bias lines. This feature is achieved by exploiting both the first and the second Shapiro steps along with nonconventional DAC codings. Two newly devised bias techniques are described in detail and preliminary experimental tests on waveform synthesis have been carried out and are presented here

Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces

Non-bonded potentials are included in most force fields and therefore widely used in classical molecular dynamics simulations of materials and interfacial phenomena. It is commonplace to truncate these potentials for computational efficiency based on the assumption that errors are negligible for reasonable cutoffs or compensated for by adjusting other interaction parameters. Arising from a metadynamics study of the wetting transition of water on a solid substrate, we find that the influence of the cutoff is unexpectedly strong and can change the character of the wetting transition from continuous to first order by creating artificial metastable wetting states. Common cutoff corrections such as the use of a force switching function, a shifted potential, or a shifted force do not avoid this. Such a qualitative difference urges caution and suggests that using truncated non-bonded potentials can induce unphysical behavior that cannot be fully accounted for by adjusting other interaction parameters

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations

The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing an important role in areas such as climate change and the production of drugs. As the early stages of nucleation involve exceedingly small time and length scales, atomistic computer simulations can provide unique insight into the microscopic aspects of crystallization. In this review, we take stock of the numerous molecular dynamics simulations that in the last few decades have unraveled crucial aspects of crystal nucleation in liquids. We put into context the theoretical framework of classical nucleation theory and the state of the art computational methods, by reviewing simulations of e.g. ice nucleation or crystallization of molecules in solutions. We shall see that molecular dynamics simulations have provided key insight into diverse nucleation scenarios, ranging from colloidal particles to natural gas hydrates, and that in doing so the general applicability of classical nucleation theory has been repeatedly called into question. We have attempted to identify the most pressing open questions in the field. We believe that by improving (i.) existing interatomic potentials; and (ii.) currently available enhanced sampling methods, the community can move towards accurate investigations of realistic systems of practical interest, thus bringing simulations a step closer to experiments

Thermal Performances of an Improved Package for Cryocooled Josephson Standards

Complex cryogenics still represents a strong limitation to the spread of Josephson voltage standards, and cryogenfree cooling is particularly suitable to simplify their operation. The main downsides of liquid-helium-free systems are related to the chip thermalization: Indeed, at low temperature, the heat transfer between the chip and the coldplate of a cryocooler in vacuum is strongly affected by the quality of the interfaces. In order to increase the thermal performances of cryocooled programmable Josephson standards, we devised and tested a special cryopackage: The chip is embedded into a sandwich structure with high-thermal-conductivity materials subject to a controlled mechanical pressure to reduce the thermal contact resistances. A thin sapphire lamina placed upon the chip allows the heat to be dissipated from the top, thus creating an additional path for the thermal flow. A special bridgelike system with a screw is used as a reproducible torque-to-force converter to exert known pressures to the sandwich. Furthermore, we analyzed the effect of thermal contraction to the actual pressure exerted on the chip, showing a nonnegligible increase when cooled down to cryogenic temperature that can be calculated and corrected for

Tests of SNIS Josephson Arrays Cryocooler Operation

Cryogen-free operation of is essential to spread applications of superconductivity and is indeed unavoidable in some cases. In electrical metrology applications, higher temperature operation to reduce the refrigerator size and complexity is not yet possible, since arrays of Josephson junctions for voltage standard applications made with high-temperature superconductors are not yet available. The superconductor-normal metal-insulator-superconductor (SNIS) technology developed at INRIM uses low temperature superconductors, but allows operation well above liquid helium temperature. It is thus interesting for application to a compact cryocooled standard. We studied SNIS devices cooled with a closed-cycle refrigerator, both in DC and under RF irradiation. Issues related to thermal design of the apparatus are analyzed. The dependence of RF steps on the number of junctions observed is discussed in detail and interpreted as a consequence of power dissipated inside the chip

Ice Formation on Kaolinite: Insights from Molecular Dynamics Simulations

The formation of ice affects many aspects of our everyday life as well as technologies such as cryotherapy and cryopreservation. Foreign substances almost always aid water freezing through heterogeneous ice nucleation, but the molecular details of this process remain largely unknown. In fact, insight into the microscopic mechanism of ice formation on different substrates is difficult to obtain even via state-of-the-art experimental techniques. At the same time, atomistic simulations of heterogeneous ice nucleation frequently face extraordinary challenges due to the complexity of the water-substrate interaction and the long timescales that characterize nucleation events. Here, we have investigated several aspects of molecular dynamics simulations of heterogeneous ice nucleation considering as a prototypical ice nucleating material the clay mineral kaolinite, which is of relevance in atmospheric science. We show via seeded molecular dynamics simulations that ice nucleation on the hydroxylated (001) face of kaolinite proceeds exclusively via the formation of the hexagonal ice polytype. The critical nucleus size is two times smaller than that obtained for homogeneous nucleation at the same supercooling. Previous findings suggested that the flexibility of the kaolinite surface can alter the time scale for ice nucleation within molecular dynamics simulations. However, we here demonstrate that equally flexible (or non flexible) kaolinite surfaces can lead to very different outcomes in terms of ice formation, according to whether or not the surface relaxation of the clay is taken into account. We show that very small structural changes upon relaxation dramatically alter the ability of kaolinite to provide a template for the formation of a hexagonal overlayer of water molecules at the water-kaolinite interface, and that this relaxation therefore determines the nucleation ability of this mineral