Impulsivity and self-control during intertemporal decision making linked to the neural dynamics of reward value representation

A characteristic marker of impulsive decision making is the discounting of delayed rewards, demonstrated via choice preferences and choice-related brain activity. However, delay discounting may also arise from how subjective reward value is dynamically represented in the brain when anticipating an upcoming chosen reward. In the current study, brain activity was continuously monitored as human participants freely selected an immediate or delayed primary liquid reward and then waited for the specified delay before consuming it. The ventromedial prefrontal cortex (vmPFC) exhibited a characteristic pattern of activity dynamics during the delay period, as well as modulation during choice, that is consistent with the time-discounted coding of subjective value. The ventral striatum (VS) exhibited a similar activity pattern, but preferentially in impulsive individuals. A contrasting profile of delay-related and choice activation was observed in the anterior PFC (aPFC), but selectively in patient individuals. Functional connectivity analyses indicated that both vmPFC and aPFC exerted modulatory, but opposite, influences on VS activation. These results link behavioral impulsivity and self-control to dynamically evolving neural representations of future reward value, not just during choice, but also during postchoice delay periods

Solid domains in lipid vesicles and scars

The free energy of a crystalline domain coexisting with a liquid phase on a spherical vesicle may be approximated by an elastic or stretching energy and a line tension term. The stretching energy generally grows as the area of the domain, while the line tension term grows with its perimeter. We show that if the crystalline domain contains defect arrays consisting of finite length grain boundaries of dislocations (scars) the stretching energy grows linearly with a characteristic length of the crystalline domain. We show that this result is critical to understand the existence of solid domains in lipid-bilayers in the strongly segregated two phase region even for small relative area coverages. The domains evolve from caps to stripes that become thinner as the line tension is decreased. We also discuss the implications of the results for other experimental systems and for the general problem that consists in finding the ground state of a very large number of particles constrained to move on a fixed geometry and interacting with an isotropic potential.Comment: 7 pages, 6 eps figure

Viscoelastic model for the dynamic structure of binary systems

This paper presents the viscoelastic model for the Ashcroft-Langreth dynamic structure factors of liquid binary mixtures. We also provide expressions for the Bhatia-Thornton dynamic structure factors and, within these expressions, show how the model reproduces both the dynamic and the self-dynamic structure factors corresponding to a one-component system in the appropriate limits (pseudobinary system or zero concentration of one component). In particular we analyze the behavior of the concentration-concentration dynamic structure factor and longitudinal current, and their corresponding counterparts in the one-component limit, namely, the self dynamic structure factor and self longitudinal current. The results for several lithium alloys with different ordering tendencies are compared with computer simulations data, leading to a good qualitative agreement, and showing the natural appearance in the model of the fast sound phenomenon.Comment: 20 pages, 19 figures, submitted to PR

Idiosyncrasies of nucleation in large, deeply supercooled liquid clusters

Characteristic differences between the nucleation of solids in bulk liquids and in liquid clusters are identified in computer simulations, and the reasons for these differences are discussed. © 2000 American Institute of Physics.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/87550/2/45_1.pd

Bridge function for liquid Na

Bridge function B(r) for liquid Na is calculated in the referense hypernetted chain approximation from the pair distribution function obtained by means of MD simulations. A comparison with the bridge function obtained in a Mori-Hoshino-Watabe scheme is made. The influence of the cut-off radius and the MD sample size on the structure factor is investigated.Елементарні діаграми B(r) для рідкого Na розраховані в базисному гіперланцюговому наближенні з парних функцій розподілу отриманих методом МД. Проведено порівняння з B(r) в наближенні Морі-Хошіно-Ватабе. Досліджено залежність статичного структурного фактора від радіуса обрізання базисної парної функції розподілу

Melting and Equilibrium Shape of Icosahedral Gold Nanoparticles

We use molecular dynamics simulations to study the melting of gold icosahedral clusters of a few thousand atoms. We pay particular attention to the behavior of surface atoms, and to the equilibrium shape of the cluster. We find that although the surface of the cluster remains ordered up to the melting T_m, the increasing mobility of vertex and edge atoms significantly soften the surface structure, leading to inter- and intra-layer diffusion, and shrinking of the average facet size, so that the average shape of the cluster is nearly spherical at melting.Comment: 4 pages, 4 figures - replaced with final published versio

Structure and Transformation in Clusters: Computational Experiments

A very brief review of gas-phase electron diffraction and one of its offshoots is given. Parallels are drawn between experimental studies of molecules, including conformational changes, and studies of clusters, including phase changes, calling particular attention to the use of computers as the preferred experimental apparatus. A sketch is presented of what has been learned about matter in transition by the application of computer simulations.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/45664/1/11224_2004_Article_225523.pd

Micelle formation, gelation and phase separation of amphiphilic multiblock copolymers

The phase behaviour of amphiphilic multiblock copolymers with a large number of blocks in semidilute solutions is studied by lattice Monte Carlo simulations. The influence on the resulting structures of the concentration, the solvent quality and the ratio of hydrophobic to hydrophilic monomers in the chains has been assessed explicitely. Several distinct regimes are put in evidence. For poorly substituted (mainly hydrophilic) copolymers formation of micelles is observed, either isolated or connected by the hydrophilic moieties, depending on concentration and chain length. For more highly substituted chains larger tubular hydrophobic structures appear which, at higher concentration, join to form extended hydrophobic cores. For both substitution ratios gelation is observed, but with a very different gel network structure. For the poorly substituted chains the gel consists of micelles cross-linked by hydrophilic blocks whereas for the highly substituted copolymers the extended hydrophobic cores form the gelling network. The interplay between gelation and phase separation clearly appears in the phase diagram. In particular, for poorly substituted copolymers and in a narrow concentration range, we observe a sol-gel transition followed by an inverse gel-sol transition when increasing the interaction energy. The simulation results are discussed in the context of the experimentally observed phase properties of methylcellulose, a hydrophobically substituted polysaccharide.Comment: 14 pages, 14 figures; Soft Matter (2011

Stochastic simulation and analysis of biomolecular reaction networks

<p>Abstract</p> <p>Background</p> <p>In recent years, several stochastic simulation algorithms have been developed to generate Monte Carlo trajectories that describe the time evolution of the behavior of biomolecular reaction networks. However, the effects of various stochastic simulation and data analysis conditions on the observed dynamics of complex biomolecular reaction networks have not recieved much attention. In order to investigate these issues, we employed a a software package developed in out group, called Biomolecular Network Simulator (BNS), to simulate and analyze the behavior of such systems. The behavior of a hypothetical two gene <it>in vitro </it>transcription-translation reaction network is investigated using the Gillespie exact stochastic algorithm to illustrate some of the factors that influence the analysis and interpretation of these data.</p> <p>Results</p> <p>Specific issues affecting the analysis and interpretation of simulation data are investigated, including: (1) the effect of time interval on data presentation and time-weighted averaging of molecule numbers, (2) effect of time averaging interval on reaction rate analysis, (3) effect of number of simulations on precision of model predictions, and (4) implications of stochastic simulations on optimization procedures.</p> <p>Conclusion</p> <p>The two main factors affecting the analysis of stochastic simulations are: (1) the selection of time intervals to compute or average state variables and (2) the number of simulations generated to evaluate the system behavior.</p

Surface-reconstructed Icosahedral Structures for Lead Clusters

We describe a new family of icosahedral structures for lead clusters. In general, structures in this family contain a Mackay icosahedral core with a reconstructed two-shell outer-layer. This family includes the anti-Mackay icosahedra, which have have a Mackay icosahedral core but with most of the surface atoms in hexagonal close-packed positions. Using a many-body glue potential for lead, we identify two icosahedral structures in this family which have the lowest energies of any known structure in the size range from 900 to 15000 lead atoms. We show that these structures are stabilized by a feature of the many-body glue part of the interatomic potential.Comment: 9 pages, 8 figure