Molecular dynamics simulation of polyacrylamide adsorption on calcite

In poorly consolidated carbonate rock reservoirs, solids production risk, which can lead to increased environmental waste, can be mitigated by injecting formation-strengthening chemicals. Classical atomistic molecular dynamics (MD) simulation is employed to model the interaction of polyacrylamide-based polymer additives with a calcite structure, which is the main component of carbonate formations. Amongst the possible calcite crystal planes employed as surrogates of reservoir rocks, the (1 0 4) plane is shown to be the most suitable surrogate for assessing the interactions with chemicals due to its stability and more realistic representation of carbonate structure. The molecular conformation and binding energies of pure polyacrylamide (PAM), hydrolysed polyacrylamide in neutral form (HPAM), hydrolysed polyacrylamide with 33% charge density (HPAM 33%) and sulfonated polyacrylamide with 33% charge density (SPAM 33%) are assessed to determine the adsorption characteristics onto calcite surfaces. An adsorption-free energy analysis, using an enhanced umbrella sampling method, is applied to evaluate the chemical adsorption performance. The interaction energy analysis shows that the polyacrylamide-based polymers display favourable interactions with the calcite structure. This is attributed to the electrostatic attraction between the amide and carboxyl functional groups with the calcite. Simulations confirm that HPAM33% has a lower free energy than other polymers, presumably due to the presence of the acrylate monomer in ionised form. The superior chemical adsorption performance of HPAM33% agrees with Atomic Force Microscopy experiments reported herein

Self-diffusion in granular gases

The coefficient of self-diffusion for a homogeneously cooling granular gas changes significantly if the impact-velocity dependence of the restitution coefficient $\epsilon$ is taken into account. For the case of a constant $\epsilon$ the particles spread logarithmically slow with time, whereas the velocity dependent coefficient yields a power law time-dependence. The impact of the difference in these time dependences on the properties of a freely cooling granular gas is discussed.Comment: 6 pages, no figure

Digital Avatars for Older People’s Care

Es el preprint de: Bertoa M.F., Moreno N., Perez-Vereda A., Bandera D., Álvarez-Palomo J.M., Canal C. (2020) Digital Avatars for Older People’s Care. In: García-Alonso J., Fonseca C. (eds) Gerontechnology. IWoG 2019. Communications in Computer and Information Science, vol 1185. Springer, Cham. doi:10.1007/978-3-030-41494-8_6.The continuous increase in life expectancy poses a challenge for health systems in modern societies, especially with respect to older people living in rural low-populated areas, both in terms of isolation and difficulty to access and communicate with health services. In this paper, we address these issues by applying the Digital Avatars framework to Gerontechnology. Building on our previous work on mobile and social computing, in particular the People as a Service model, Digital Avatars make intensive use of the capabilities of current smartphones to collect information about their owners, and applies techniques of Complex Event Processing extended with uncertainty for inferring the habits and preferences of the user of the phone and building with them a virtual profile. These virtual profiles allow to monitor the well-being and quality of life of older adults, reminding pharmacological treatments and home health testings, and raising alerts when an anomalous situation is detected.This work has been funded by the Spanish Government under grant PGC2018-094905-B-100

Automatic generation of hardware/software interfaces

Enabling new applications for mobile devices often requires the use of specialized hardware to reduce power consumption. Because of time-to-market pressure, current design methodologies for embedded applications require an early partitioning of the design, allowing the hardware and software to be developed simultaneously, each adhering to a rigid interface contract. This approach is problematic for two reasons: (1) a detailed hardware-software interface is difficult to specify until one is deep into the design process, and (2) it prevents the later migration of functionality across the interface motivated by efficiency concerns or the addition of features. We address this problem using the Bluespec Codesign Language~(BCL) which permits the designer to specify the hardware-software partition in the source code, allowing the compiler to synthesize efficient software and hardware along with transactors for communication between the partitions. The movement of functionality across the hardware-software boundary is accomplished by simply specifying a new partitioning, and since the compiler automatically generates the desired interface specifications, it eliminates yet another error-prone design task. In this paper we present BCL, an extension of a commercially available hardware design language (Bluespec SystemVerilog), a new software compiling scheme, and preliminary results generated using our compiler for various hardware-software decompositions of an Ogg Vorbis audio decoder, and a ray-tracing application.National Science Foundation (U.S.) (NSF (#CCF-0541164))National Research Foundation of Korea (grant from the Korean Government (MEST) (#R33-10095)

Artificial Intelligence

Contains research objectives and reports on five research projects.Computation Center, M.I.T