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Acta Crystallographica Section B: Structural Science (1)
Sensors (Basel, Switzerland) (1)
Wölfel, Alexander (2)
Kolb, Florian P. (1)
Kroon-Batenburg, Loes M. J. (1)
Kutz, Dieter F. (1)
Li, Liang (1)
Meindl, Tobias (1)
Mondal, Swastik (1)
Schreurs, Antoine M. M. (1)
Schönleber, Andreas (1)
Timmann, Dagmar (1)
van Smaalen, Sander (1)
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Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb2ZnCl4
Schreurs, Antoine M. M.
Kroon-Batenburg, Loes M. J.
van Smaalen, Sander
Acta Crystallographica Section B: Structural Science
The superspace maximum entropy method (MEM) density in combination with structure refinements has been used to uncover the modulation in incommensurate Rb2ZnCl4 close to the lock-in transition. Modulated atomic displacement parameters (ADPs) and modulated anharmonic ADPs are found to form an intrinsic part of the modulation. Refined values for the displacement modulation function depend on the presence or absence of modulated ADPs in the model.
A combination of structure refinements, analysis of the superspace MEM density and interpretation of difference-Fourier maps has been used to characterize the incommensurate modulation of rubidium tetrachlorozincate, Rb2ZnCl4, at a temperature of T = 196 K, close to the lock-in transition at T lock-in = 192 K. The modulation is found to consist of a combination of displacement modulation functions, modulated atomic displacement parameters (ADPs) and modulated third-order anharmonic ADPs. Up to fifth-order Fourier coefficients could be refined against diffraction data containing up to fifth-order satellite reflections. The center-of-charge of the atomic basins of the MEM density and the displacive modulation functions of the structure model provide equivalent descriptions of the displacive modulation. Modulations of the ADPs and anharmonic ADPs are visible in the MEM density, but extracting quantitative information about these modulations appears to be difficult. In the structure refinements the modulation parameters of the ADPs form a dependent set, and ad hoc restrictions had to be introduced in the refinements. It is suggested that modulated harmonic ADPs and modulated third-order anharmonic ADPs form an intrinsic part, however small, of incommensurately modulated structures in general. Refinements of alternate models with and without parameters for modulated ADPs lead to significant differences between the parameters of the displacement modulation in these two types of models, thus showing the modulation of ADPs to be important for a correct description of the displacive modulation. The resulting functions do not provide evidence for an interpretation of the modulation by a soliton model.
aperiodic crystals; incommensurate modulated structures; MEM density; ADPs
Spatio-Temporal Human Grip Force Analysis via Sensor Arrays
Kutz, Dieter F.
Kolb, Florian P.
Sensors (Basel, Switzerland)
This study describes a technique for measuring human grip forces exerted on a cylindrical object via a sensor array. Standardised resistor-based pressure sensor arrays for industrial and medical applications have been available for some time. We used a special 20 mm diameter grip rod that subjects could either move actively with their fingers in the horizontal direction or exert reactive forces against opposing forces generated in the rod by a linear motor. The sensor array film was attached to the rod by adhesive tape and covered approximately 45 cm2 of the rod surface. The sensor density was 4/cm2 with each sensor having a force resolution of 0.1 N. A scan across all sensors resulted in a corresponding frame containing force values at a frame repetition rate of 150/s. The force value of a given sensor was interpreted as a pixel value resulting in a false-colour image. Based on remote sensed image analysis an algorithm was developed to distinguish significant force-representing pixels from those affected by noise. This allowed tracking of the position of identified fingers in subsequent frames such that spatio-temporal grip force profiles for individual fingers could be derived. Moreover, the algorithm allowed simultaneous measurement of forces exerted without any constraints on the number of fingers or on the position of the fingers. The system is thus well suited for basic and clinical research in human physiology as well as for studies in psychophysics.
prehension; multi-digit grip; dexterity; disability evaluation; hand and finger strength; rehabilitation
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