First-principles energetics of water clusters and ice: a many-body analysis.

Standard forms of density-functional theory (DFT) have good predictive power for many materials, but are not yet fully satisfactory for cluster, solid, and liquid forms of water. Recent work has stressed the importance of DFT errors in describing dispersion, but we note that errors in other parts of the energy may also contribute. We obtain information about the nature of DFT errors by using a many-body separation of the total energy into its 1-body, 2-body, and beyond-2-body components to analyze the deficiencies of the popular PBE and BLYP approximations for the energetics of water clusters and ice structures. The errors of these approximations are computed by using accurate benchmark energies from the coupled-cluster technique of molecular quantum chemistry and from quantum Monte Carlo calculations. The systems studied are isomers of the water hexamer cluster, the crystal structures Ih, II, XV, and VIII of ice, and two clusters extracted from ice VIII. For the binding energies of these systems, we use the machine-learning technique of Gaussian Approximation Potentials to correct successively for 1-body and 2-body errors of the DFT approximations. We find that even after correction for these errors, substantial beyond-2-body errors remain. The characteristics of the 2-body and beyond-2-body errors of PBE are completely different from those of BLYP, but the errors of both approximations disfavor the close approach of non-hydrogen-bonded monomers. We note the possible relevance of our findings to the understanding of liquid water.

Reactive Many-Body Expansion for a Protonated Water Cluster.

We generalize the standard many-body expansion technique that is used to approximate the total energy of a molecular system to enable the treatment of chemical reactions by quantum chemical techniques. By considering all possible assignments of atoms to monomer units of the many-body expansion and associating suitable weights with each, we construct a potential energy surface that is a smooth function of the nuclear positions. We derive expressions for this reactive many-body expansion energy and describe an algorithm for its evaluation, which scales polynomially with system size, and therefore will make the method feasible for future condensed phase simulations. We demonstrate the accuracy and smoothness of the resulting potential energy surface on a molecular dynamics trajectory of the protonated water hexamer, using the Hartree-Fock method for the many-body term and Møller-Plesset theory for the low order terms of the many-body expansion.

When is a symmetric body-hinge structure isostatic?

A symmetry-extended mobility rule is formulated for body-hinge frameworks and used to derive necessary symmetry conditions for isostatic (statically and kinematically indeterminate) frameworks. Constructions for symmetric body-hinge frameworks with an isostatic scalar count are reported, and symmetry counts are used to examine these structures for hidden, symmetry-detectable mechanisms. Frameworks of this type may serve as examples for exploration of a symmetry extension of the (now proven) 'molecular conjecture'. © 2014 Elsevier Ltd. All rights reserved.

A practical system for modelling body shapes from single view measurements

This paper describes an interactive system for quickly modelling 3D body shapes from a single image. It provides the user with a convenient way to obtain their 3D body shapes so as to try on virtual garments online. For the ease of use, we first introduce a novel interface for users to conveniently extract anthropometric measurements from a single photo, while using readily available scene cues for automatic image rectification. Then, we propose a unified probabilistic framework using Gaussian processes, which predict the body parameters from input measurements while correcting the aspect ratio ambiguity resulting from photo rectification. Extensive experiments and user studies have supported the efficacy of our system. This system is now being exploited commercially online1. © 2011. The copyright of this document resides with its authors.

Cognition from the bottom up: on biological inspiration, body morphology, and soft materials.

Traditionally, in cognitive science the emphasis is on studying cognition from a computational point of view. Studies in biologically inspired robotics and embodied intelligence, however, provide strong evidence that cognition cannot be analyzed and understood by looking at computational processes alone, but that physical system-environment interaction needs to be taken into account. In this opinion article, we review recent progress in cognitive developmental science and robotics, and expand the notion of embodiment to include soft materials and body morphology in the big picture. We argue that we need to build our understanding of cognition from the bottom up; that is, all the way from how our body is physically constructed.

Enhanced robotic body extension with modular units

The adaptation of robots to changing tasks has been explored in modular self-reconfigurable robot research, where the robot structure is altered by adapting the connectivity of its constituent modules. As these modules are generally complex and large, an upper bound is imposed on the resolution of the built structures. Inspired by growth of plants or animals, robotic body extension (RBE) based on hot melt adhesives allows a robot to additively fabricate and assemble tools, and integrate them into its own body. This enables the robot to achieve tasks which it could not achieve otherwise. The RBE tools are constructed from hot melt adhesives and therefore generally small and only passive. In this paper, we seek to show physical extension of a robotic system in the order of magnitude of the robot, with actuation of integrated body parts, while maintaining the ability of RBE to construct parts with high resolution. Therefore, we present an enhancement of RBE based on hot melt adhesives with modular units, combining the flexibility of RBE with the advantages of simple modular units. We explain the concept of this new approach and demonstrate with two simple unit types, one fully passive and the other containing a single motor, how the physical range of a robot arm can be extended and additional actuation can be added to the robot body. © 2012 IEEE.

Robotic body extension based on hot melt adhesives

The capability of extending body structures is one of the most significant challenges in the robotics research and it has been partially explored in self-reconfigurable robotics. By using such a capability, a robot is able to adaptively change its structure from, for example, a wheel like body shape to a legged one to deal with complexity in the environment. Despite their expectations, the existing mechanisms for extending body structures are still highly complex and the flexibility in self-reconfiguration is still very limited. In order to account for the problems, this paper investigates a novel approach to robotic body extension by employing an unconventional material called Hot Melt Adhesives (HMAs). Because of its thermo-plastic and thermo-adhesive characteristics, this material can be used for additive fabrication based on a simple robotic manipulator while the established structures can be integrated into the robot's own body to accomplish a task which could not have been achieved otherwise. This paper first investigates the HMA material properties and its handling techniques, then evaluates performances of the proposed robotic body extension approach through a case study of a "water scooping" task. © 2012 IEEE.

Sensing through body dynamics

It has been shown that sensory morphology and sensory-motor coordination enhance the capabilities of sensing in robotic systems. The tasks of categorization and category learning, for example, can be significantly simplified by exploiting the morphological constraints, sensory-motor couplings and the interaction with the environment. This paper argues that, in the context of sensory-motor control, it is essential to consider body dynamics derived from morphological properties and the interaction with the environment in order to gain additional insight into the underlying mechanisms of sensory-motor coordination, and more generally the nature of perception. A locomotion model of a four-legged robot is used for the case studies in both simulation and real world. The locomotion model demonstrates how attractor states derived from body dynamics influence the sensory information, which can then be used for the recognition of stable behavioral patterns and of physical properties in the environment. A comprehensive analysis of behavior and sensory information leads to a deeper understanding of the underlying mechanisms by which body dynamics can be exploited for category learning of autonomous robotic systems. © 2006 Elsevier Ltd. All rights reserved.

Exploiting body dynamics for controlling a running quadruped robot

Exploiting the body dynamics to control the behavior of robots is one of the most challenging issues, because the use of body dynamics has a significant potential in order to enhance both complexity of the robot design and the speed of movement. In this paper, we explore the control strategy of rapid four-legged locomotion by exploiting the intrinsic body dynamics. Based on the fact that a simple model of four-legged robot is known to exhibit interesting locomotion behavior, this paper analyzes the characteristics of the dynamic locomotion for the purpose of the locomotion control. The results from a series of running experiments with a robot show that, by exploiting the unique characteristics induced by the body dynamics, the forward velocity can be controlled by using a very simple method, in which only one control parameter is required. Furthermore it is also shown that a few of such different control parameters exist, each of them can control the forward velocity. Interestingly, with these parameters, the robot exhibits qualitatively different behavior during the locomotion, which could lead to our comprehensive understanding toward the behavioral diversity of adaptive robotic systems. © 2005 IEEE.

Temperature measurements of the bluff body surface of a Swirl Burner using phosphor thermometry

Flames are often stabilised on bluff-bodies, yet their surface temperatures are rarely measured. This paper presents temperature measurements for the bluff body surface of the Cambridge/Sandia Stratified Swirl Burner. The flame is stabilized by a bluff body, designed to provide a series of turbulent premixed and stratified methane/air flames with a variable degree of swirl and stratification. Recently, modellers have raised concerns about the role of surface temperature on the resulting gas temperatures and the overall heat loss of the burner. Laser-induced phosphorescence is used to measure surface temperatures, with Mg4GeO6F:Mn as the excitation phosphor, creating a spatially resolved temperature map. Results show that the temperature of the bluff body is in the range 550-900 K for different operating conditions. The temperature distribution is strongly correlated with the degree of swirl and local equivalence ratio, reflecting the temperature distribution obtained in the gas phase. The overall heat loss represents only a small fraction (<0.5%) of the total heat load, yet the local surface temperature may affect the local heat transfer and gas temperatures. © 2014 The Combustion Institute.