Modelling of amorphous polymer surfaces in computer simulation

We study surface effects in amorphous polymer systems by means of computer simulation. In the framework of molecular dynamics, we present two different methods to prepare such surfaces. {\em Free} surfaces are stabilized solely by van--der--Waals interactions whereas {\em confined} surfaces emerge in the presence of repelling plates. The two models are compared in various computer simulations. For free surfaces, we analyze the migration of end--monomers to the surface. The buildup of density and pressure profiles from zero to their bulk values depends on the surface preparation method. In the case of confined surfaces, we find density and pressure oszillations next to the repelling plates. We investigate the influence of surfaces on the coordination number, on the orientation of single bonds, and on polymer end--to--end vectors. Furthermore, different statistical methods to determine location and width of the surface region for systems of various chain lengths are discussed and applied. We introduce a ``height function'' and show that this method allows to determine average surface profiles only by scanning the outermost layer of monomers.Comment: 23 pages, 12 figure

Modelling of Amorphous Polymer Surfaces in Computer Simulation

We study surface effects in amorphous polymer systems by means of computer simulation. In the framework of molecular dynamics, we present two different methods to prepare such surfaces. Free surfaces are stabilized solely by van--der--Waals interactions whereas confined surfaces emerge in the presence of repelling plates. The two models are compared in various computer simulations. For free surfaces, we analyze the migration of end--monomers to the surface. The buildup of density and pressure profiles from zero to their bulk values depends on the surface preparation method. In the case of confined surfaces, we find density and pressure oszillations next to the repelling plates. We investigate the influence of surfaces on the coordination number, on the orientation of single bonds, and on polymer end--to--end vectors. Furthermore, different statistical methods to determine location and width of the surface region for systems of various chain lengths are discussed and applied. We introdu..

Elemental analyses (XRF), total organic carbon (TOC), grain size analyses, lamination index of sediment core SO130-289KL

The Dansgaard-Oeschger oscillations and Heinrich events described in North Atlantic sediments and Greenland ice are expressed in the climate of the tropics, for example, as documented in Arabian Sea sediments. Given the strength of this teleconnection, we seek to reconstruct its range of environmental impacts. We present geochemical and sedimentological data from core SO130-289KL from the Indus submarine slope spanning the last ~ 80 kyr. Elemental and grain size analyses consistently indicate that interstadials are characterized by an increased contribution of fluvial suspension from the Indus River. In contrast, stadials are characterized by an increased contribution of aeolian dust from the Arabian Peninsula. Decadal-scale shifts at climate transitions, such as onsets of interstadials, were coeval with changes in productivity-related proxies. Heinrich events stand out as especially dry and dusty events, indicating a dramatically weakened Indian summer monsoon, potentially increased winter monsoon circulation, and increased aridity on the Arabian Peninsula. This finding is consistent with other paleoclimate evidence for continental aridity in the northern tropics during these events. Our results strengthen the evidence that circum-North Atlantic temperature variations translate to hydrological shifts in the tropics, with major impacts on regional environmental conditions such as rainfall, river discharge, aeolian dust transport, and ocean margin anoxia

Weakening and strengthening of the Indian monsoon during Heinrich events and Dansgaard-Oeschger oscillations

The Dansgaard-Oeschger oscillations and Heinrich events described in North Atlantic sediments and Greenland ice are expressed in the climate of the tropics, for example, as documented in Arabian Sea sediments. Given the strength of this teleconnection, we seek to reconstruct its range of environmental impacts. We present geochemical and sedimentological data from core SO130-289KL from the Indus submarine slope spanning the last similar to 80 kyr. Elemental and grain size analyses consistently indicate that interstadials are characterized by an increased contribution of fluvial suspension from the Indus River. In contrast, stadials are characterized by an increased contribution of aeolian dust from the Arabian Peninsula. Decadal-scale shifts at climate transitions, such as onsets of interstadials, were coeval with changes in productivity-related proxies. Heinrich events stand out as especially dry and dusty events, indicating a dramatically weakened Indian summer monsoon, potentially increased winter monsoon circulation, and increased aridity on the Arabian Peninsula. This finding is consistent with other paleoclimate evidence for continental aridity in the northern tropics during these events. Our results strengthen the evidence that circum-North Atlantic temperature variations translate to hydrological shifts in the tropics, with major impacts on regional environmental conditions such as rainfall, river discharge, aeolian dust transport, and ocean margin anoxia.Key Points Intensity of Indian monsoon is traced with geochemical and grain size analyses of sediments Fluvial versus aeolian sediment input to Arabian Sea mimics DO oscillations During Heinrich events the Indian monsoon weakened distinctl