Hans-Joachim Ziock

Coarse graining and scaling in dissipative particle dynamics

Dissipative particle dynamics (DPD) is now a well-established method for simulating soft matter systems. However, its applicability was recently questioned because some investigations showed an upper coarse-graining limit that would prevent the applicability of the method to the whole mesoscopic range. This article aims to re-establish DPD as a truly mesoscopic method by analyzing the problems reported by other authors and by presenting a scaling scheme that allows one to apply DPD simulations directly to any desired length scale.

Life Cycle of a Minimal Protocell---A Dissipative Particle Dynamics Study

Cross-reactions and other systematic difficulties generated by the coupling of functional chemical subsystems pose the largest challenge for assembling a viable protocell in the laboratory. Our current work seeks to identify and clarify such key issues as we represent and analyze in simulation a full implementation of a minimal protocell. Using a 3D dissipative particle dynamics simulation method, we are able to address the coupled diffusion, self-assembly, and chemical reaction processes required to model a full life cycle of a protocell composed of coupled genetic, metabolic, and container subsystems. Utilizing this minimal structural and functional representation of the constituent molecules, their interactions, and their reactions, we identify and explore the nature of the many linked processes for the full protocellular system. Obviously the simplicity of this simulation method combined with the inherent system complexity prevents us from expecting quantitative simulation predictions from these investigations. However, we report important findings on systemic processes, some previously predicted and some newly discovered, as we couple the protocellular self-assembly processes and chemical reactions.

Question 9: Prospects for the Construction of Artificial Cells or Protocells

The construction of artificial cells or protocells that are a simplified version of contemporary cells will have implications for both the understanding of the origins of cellular Life and the design of “cell-like” chemical factories. In this short communication, we discuss the progress and remaining issues related to the construction of protocells from metabolic products. We further outline the de novo design of a simple chemical system that mimics the functional properties of a living cell without being composed of molecules of biological origin, thereby addressing issues related to Life’s origins.

Intensified/shuttered cooled CCD camera for dynamic proton radiography

An intensified/shuttered cooled PC-based CCD camera system was designed and successfully fielded on proton radiography experiments at the Los Alamos National Laboratory ALNSCE facility using 800-MeV protons. The four camera detector system used front-illuminated full-frame CCD arrays fiber optically coupled to either 25-mm diameter planar diode or microchannel plate image intensifiers which provided optical shuttering for time resolved imaging of shock propagation in high explosives. The intensifiers also provided wavelength shifting and optical gain. Typical sequences consisting of four images corresponding to consecutive exposures of about 500 ns duration for 40-ns proton burst images separated by approximately 1 microsecond were taken during the radiography experiments. Camera design goals and measured performance characteristics including resolution, dynamic range, responsivity, system detection quantum efficiency, and signal-to-noise will be discussed.

Assembling living materials and engineering life-like technologies

Von Neumann, the inventor of the modern computer, realized that if life is a physical process, it should be possible to implement life in other media than biochemistry. In the 1950s, he was one of the first to propose the possibility of implementing genuine living processes in computers and robots. This perspective, while still controversial, is rapidly gaining momentum in many science and engineering communities. Below, we summarize our recent activities to create artificial life from scratch in physicochemical systems. We also outline the nature of the grand science and engineering challenges faced as we seek to realize Von Neumanns vision: Integration of information processing and material production from the nano- to the macroscale in technical systems.

Free-Market Approaches to Controlling Carbon Dioxide Emissions to the Atmosphere

Human activities are changing the Earth on a global scale affecting virtually every region and every ecosystem [1]. Not all changes have been intentional or for the better. A case in point is the emission of greenhouse gases. There is a growing consensus that the accumulation of greenhouse gases in the atmosphere needs to be curtailed since it has the potential of substantially changing the climate [2]. The dominant greenhouse gas is carbon dioxide (C02) generated in the combustion of fossil fuels [3].