Phase separation in driven granular gases: exploring the elusive character of nonequilibrium steady states.

The emergence of patterns and phase separation in many-body systems far from thermal equilibrium is discussed using the example of driven granular gases. It is shown that phase separation follows a similar mechanism as in the systems of active Brownian particles. Depending on the quantities chosen for observation, it may or may not be easy to find functionals analogous to the free energy in equilibrium statistical physics. We argue that although such functionals can always be derived from the dynamics, it is of only limited value for predicting relevant aspects of the nonequilibrium steady state of the system. Consequently, although there is indeed a 'principle' governing the selection of collective nonequilibrium steady states (and the corresponding large deviation functional can be identified), it is not generally useful for predicting the behaviour of the system.

Wetting, spreading, and adsorption on randomly rough surfaces.

The wetting properties of solid substrates with customary (i.e., macroscopic) random roughness are considered as a function of the microscopic contact angle of the wetting liquid and its partial pressure in the surrounding gas phase. Analytic expressions are derived which allow for any given lateral correlation function and height distribution of the roughness to calculate the wetting phase diagram, the adsorption isotherms, and to locate the percolation transition in the adsorbed liquid film. Most features turn out to depend only on a few key parameters of the roughness, which can be clearly identified. It is shown that a first-order transition in the adsorbed film thickness, which we term "Wenzel prewetting", occurs generically on typical roughness topographies, but is absent on purely Gaussian roughness. It is thereby shown that even subtle deviations from Gaussian roughness characteristics may be essential for correctly predicting even qualitative aspects of wetting.

Network representations of nonequilibrium steady states: Cycle decompositions, symmetries, and dominant paths.

Nonequilibrium steady states of Markov processes give rise to nontrivial cyclic probability fluxes. Cycle decompositions of the steady state offer an effective description of such fluxes. Here we present an iterative cycle decomposition exhibiting a natural dynamics on the space of cycles that satisfies detailed balance. Expectation values of observables can be expressed as cycle "averages," resembling the cycle representation of expectation values in dynamical systems. We illustrate our approach in terms of an analogy to a simple model of mass transit dynamics. Symmetries are reflected in our approach by a reduction of the minimal number of cycles needed in the decomposition. These features are demonstrated by discussing a variant of an asymmetric exclusion process. Intriguingly, a continuous change of dominant flow paths in the network results in a change of the structure of cycles as well as in discontinuous jumps in cycle weights.

Cutoff value of choline concentration reliably reveals high-grade brain tumors among other contrast-enhancing brain lesions.

BACKGROUND AND AIM: To evaluate whether there is a cutoff value for a metabolite concentration measured by 1 H MR spectroscopy (MRS), which can be used to differentiate malignant brain tumors (high-grade gliomas, primary CNS lymphomas [PCNSL] and metastases) from other contrast-enhancing lesions like low-grade gliomas and non-neoplastic lesions. MATERIAL AND METHODS: 1 H MRS was performed in 252 consecutive patients with space-occupying brain lesions which were enhanced with application of a contrast agent. Concentrations of N-acetyl-aspartate, total creatine, choline containing metabolites (total choline, tCho), lipids, and lactate were evaluated from the contrast-enhancing part of the lesions and from the normal appearing brain tissue. Linear discriminant analysis was used to find the best predictor for malignant brain tumors. In addition, receiver operating characteristic analysis (ROC) was performed to determine a cutoff value for the best predictor in detecting malignant brain tumors with a specificity of >95%. RESULTS: All brain tumors and 20 out of 47 nonneoplastic lesions were examined histopathologically. The remaining 27 diagnoses were based on MR imaging, clinical findings, and follow-up. The final diagnosis was 134 high-grade gliomas (WHO grade III/IV), 36 metastases, 9 PCNSL, 8 low-grade gliomas (WHO grade I/II), 34 infections, 9 infarctions, 2 hematomas, and 2 vasculitides. 18 patients were excluded due to insufficient spectral quality. The tCho concentration was the best predictor to differentiate malignant brain tumors from enhancing low-grade gliomas or non-neoplastic lesions (F=26.6 [df: 25.833], p<0.0005). The ROC revealed that a cutoff tCho value, based on an increase of ≥40% compared to normal, yielded a specificity of 100% and a sensitivity of 89.4% to correctly diagnose a malignant brain tumor. CONCLUSION: 1 H MRS reliably differentiates malignant brain tumors from other contrast-enhancing brain lesions. At least a 40% increase of tCho compared to normal brain tissue indicates a malignant tumor (WHO grade III/IV gliomas, PCNSL, metastases) with >90% specificity and sensitivity.

Universal phase diagram for wetting on mesoscale roughness.

The wetting properties of solid substrates with mesoscale (between van der Waals tails and the capillary length) random roughness are considered as a function of the microscopic contact angle of the wetting liquid and its partial pressure in the surrounding gas phase. It is shown that the well-known transition occurring at Wenzel's angle is accompanied by a transition line at which a jump in the adsorbed liquid volume occurs. This should be present generally on surfaces bearing homogeneous, isotropic random roughness. While a similar abrupt filling transition has been reported before for certain idealized groove or trough geometries, it is identified here as a universal phenomenon. Its location can be analytically calculated under certain mild conditions.

Fluidization of wet granulates under shear.

Small amounts of a wetting liquid render sand a stiff and moldable material. The cohesive forces between the sand grains are caused by capillary bridges at the points of contact. Due to the finite strength of these bridges wet sand undergoes a transition from an arrested (i.e., solidified) to a fluidized state under an externally applied shear force. The transition between these two dynamic states is studied in a MD-type simulation of a two-dimensional assembly of bidisperse frictionless disks under the action of a cosine force profile. In addition to soft core repulsion the disks interact through a hysteretic and short ranged attractive force modeling the effect of the capillary bridges. In this model the transition between the fluidized and the arrested state is discontinuous and hysteretic. The parameter dependence of the critical force for solidification is modeled by combining theoretical arguments with a detailed numerical exploration of the transition. We address a range of densities from slightly below close packing until slightly above densities where the system approaches a shear-banded state. Differences and similarities of the transition in wet granulates to the jamming transition are also addressed.

Fluidization of granular media wetted by liquid 4He.

We explore experimentally the fluidization of vertically agitated polymethylmethacrylate spheres wetted by liquid 4He . By controlling the temperature around the lambda point, we change the properties of the wetting liquid from a normal fluid (helium I) to a superfluid (helium II). For wetting by helium I, the critical acceleration for fluidization (Gamma_{c}) shows a steep increase close to the saturation of the vapor pressure in the sample cell. For helium II wetting, Gamma_{c} starts to increase at about 75% saturation, indicating that capillary bridges are enhanced by the superflow of the unsaturated helium film. Above saturation, Gamma_{c} enters a plateau regime where the capillary force between particles is independent of the bridge volume. The plateau value is found to vary with temperature and shows a peak at 2.1K , which we attribute to the influence of the specific heat of liquid helium.

Equation of state of wet granular matter.

An expression for the near-contact pair correlation function of D -dimensional weakly polydisperse hard spheres is presented, which arises from elementary free-volume arguments. Its derivative at contact agrees very well with our simulations for D=2 . For jammed states, the expression predicts that the number of exact contacts is equal to 2D, in agreement with established simulations. When the particles are wetted, they interact by the formation and rupture of liquid capillary bridges. Since formation and rupture events of capillary bonds are well separated in configuration space, the interaction is hysteretic with a characteristic energy loss Ecb. The pair correlation is strongly affected by this capillary interaction depending on the liquid-bond status of neighboring particles. A theory is derived for the nonequilibrium probability currents of the capillary interaction which determines the pair correlation function near contact. This finally yields an analytic expression for the equation of state, P=P(N/V,T), of wet granular matter for D=2, valid in the complete density range from gas to jamming. Driven wet granular matter exhibits a van der Waals-like unstable branch at granular temperatures T>T, is of relevance for aggregation in general, simulations have been performed which show very good agreement with the theoretically predicted coordination K of capillary bonds as a function of the bond length scrit. This result implies that particles that stick at the surface, scrit=0, form isostatic clusters. An extension of the theory in which the bridge coordination number K plays the role of a self-consistent mean-field is proposed.

Morphological clues to wet granular pile stability.

When a granular material such as sand is mixed with a certain amount of liquid, the surface tension of the latter bestows considerable stiffness to the material, which enables, for example, sand castles to be sculpted. The geometry of the liquid interface within the granular pile is of extraordinary complexity and strongly varies with the liquid content. Surprisingly, the mechanical properties of the pile are largely independent of the amount of liquid over a wide range. We resolve this puzzle with the help of X-ray microtomography, showing that the remarkable insensitivity of the mechanical properties to the liquid content is due to the particular organization of the liquid in the pile into open structures. For spherical grains, a simple geometric rule is established, which relates the macroscopic properties to the internal liquid morphologies. We present evidence that this concept is also valid for systems with non-spherical grains. Hence, our results provide new insight towards understanding the complex physics of a large variety of wet granular systems including land slides, as well as mixing and agglomeration problems.

Chaoticity of the wet granular gas.

In this work we derive an analytic expression for the Kolmogorov-Sinai entropy of dilute wet granular matter, valid for any spatial dimension. The grains are modeled as hard spheres and the influence of the wetting liquid is described according to the capillary model, in which dissipation is due to the hysteretic cohesion force of capillary bridges. The Kolmogorov-Sinai entropy is expanded in a series with respect to density. We find a rapid increase of the leading term when liquid is added. This demonstrates the sensitivity of the granular dynamics to humidity, and shows that the liquid significantly increases the chaoticity of the granular gas.

Dry and wet granular shock waves.

The formation of a shock wave in one-dimensional granular gases is considered, for both the dry and the wet cases, and the results are compared with the analytical shock wave solution in a sticky gas. Numerical simulations show that the behavior of the shock wave in both cases tends asymptotically to the sticky limit. In the inelastic gas (dry case) there is a very close correspondence to the sticky gas, with one big cluster growing in the center of the shock wave, and a step-like stationary velocity profile. In the wet case, the shock wave has a nonzero width which is marked by two symmetric heavy clusters performing breathing oscillations with slowly increasing amplitude. All three models have the same asymptotic energy dissipation law, which is important in the context of the free cooling scenario. For the early stage of the shock formation and asymptotic oscillations we provide analytical results as well.

Diagnostic impact of proton MR-spectroscopy versus image-guided stereotactic biopsy.

BACKGROUND: The aim of this study was to compare the diagnostic accuracy of (1)H MR-spectroscopy versus image-guided stereotactic biopsy. METHOD: A cohort of 83 consecutive patients with a broad spectrum of brain lesions were examined. Prior to stereotactic biopsy, the patients were subjected to (1)H MR-spectroscopy examination. Diagnostic accuracy of (1)H MR-spectroscopy and image guided stereotactic biopsy was determined for the largest diagnostic subgroups. Each diagnostic procedure was tested for concordance in every subgroup. FINDINGS: The subgroups of patients comprised: low grade glioma, high grade glioma (grades III and IV), lymphoma and metastasis. For the sensitivity of (1)H MR-spectroscopy ranged from 87.7 in high grade glioma to 92.3% in metastasis and for specificity from 93.3% for high grade glioma to 100% in low grade glioma. The highest positive predictive value of 100% was reached in the subgroup of low grade glioma. The highest negative predictive value was reached in lymphoma and metastasis, 100%. The kappa values were highly significant for all comparisons (p<0.001). The co-efficient ranged from 0.68 to 0.84. It was lowest in assessing high grade glioma and highest in lymphoma. CONCLUSION: Compared with each other (1)H MR-spectroscopy and image-guided stereotactic biopsy showed a moderate to good, statistically highly significant concordance. In patients in whom operation is at an increased risk e.g., due to severe medical illness, (1)H MR-spectroscopy as a noninvasive procedure may be sufficient to assess the diagnosis.

Unclustering transition in freely cooling wet granular matter.

The free cooling of one-dimensional wet granular matter is presented in the framework of the minimal capillary model. We demonstrate analytically and by extensive simulations that above a critical density, the clustering of wet granular matter is not monotonic in time, but undergoes a sharp unclustering transition. This precipitation of granular droplets out of the gas takes place when the granular temperature comes close to the energy scale set by the capillary interaction.

Free cooling of the one-dimensional wet granular gas.

The free cooling behavior of a wet granular gas is studied in one dimension. We employ a particularly simple model system in which the interaction of wet grains is characterized by a fixed energy loss assigned to each collision. Macroscopic laws of energy dissipation and cluster formation are studied on the basis of numerical simulations and mean-field analytical calculations. We find a number of remarkable scaling properties which may shed light on earlier unexplained results for related systems.

AFM study of defect-induced depressions of the smectic-A/air interface.

The smectic-A/air interface of liquid-crystal droplets with antagonistic boundary conditions is studied by atomic force microscopy (AFM). The droplets are prepared on coated silicon wafers on which a planar alignment is preferred in contrast to the homeotropic alignment at the air interface. As a result, focal conic defects appear in the smectic-A phase causing a characteristic pattern of depressions in the droplet surface. The dimensions of the defect-induced depressions are measured by AFM as a function of temperature for two different compounds possessing a smectic-A-isotropic and a smectic-A-nematic transition. Whereas the results are independent of temperature in the smectic-A-isotropic case, reflecting the first-order nature of the transition, a pronounced temperature dependence is observed for the second compound, where the depth of the defect-induced depressions decreases continuously with increasing temperature and vanishes at the second-order transition to the nematic phase. These observations can be qualitatively explained through the behavior of the layer compressional elastic constant at the smectic-A-nematic transition.

A generic mechanism of sliding friction between charged soft surfaces.

A universal sliding friction mechanism between soft, electrically charged surfaces (e.g., those carrying polyelectrolytes) is proposed. The Coulomb field of the randomly distributed charges induces a damped motion of the charges of the opposite surface, which gives rise to dissipation, and thus to friction. It is predicted that this friction force, which diverges at zero separation, may overcome viscous friction at distances significantly exceeding the Bjerrum length. This is not only of fundamental interest, but also of potential importance in life science and many practical situations.

Viscoelastic dynamics of polymer thin films and surfaces.

The strain relaxation behavior in a viscoelastic material, such as a polymer melt, may be strongly affected by the proximity of a free surface or mobile interface. In this paper, the viscoelastic surface modes of the material are discussed with respect to their possible influence on the freezing temperature and dewetting morphology of thin polymer films. In particular, the mode spectrum is connected with mode coupling theory assuming memory effects in the melt. Based on the idea that the polymer freezes due to these memory effects, surface melting is predicted. As a consequence, the substantial shift of the glass transition temperature of thin polymer films with respect to the bulk is naturally explanied. The experimental findings of several independent groups can be accounted for quantitatively, with the elastic modulus at the glass transition temperature as the only fitting parameter. Finally, a simple model is put forward which accounts for the occurrence of certain generic dewetting morphologies in thin liquid polymer films. It demonstrates that by taking into account the viscoelastic properties of the film, a morphological phase diagram may be derived which describes the observed structures of dewetting fronts. It is demonstrated that dewetting morphologies may also serve to determine nanoscale rheological properties of liquids.

Clinical application of proton magnetic resonance spectroscopy in the diagnosis of intracranial mass lesions.

Diagnosis of primary and secondary brain tumours and other focal intracranial mass lesions based on imaging procedures alone is still a challenging problem. Proton magnetic resonance spectroscopy (1H-MRS) gives completely different information related to cell membrane proliferation, neuronal damage, energy metabolism and necrotic transformation of brain or tumour tissues. Our purpose was to evaluate the clinical utility of 1H-MRS added to MRI for the differentiation of intracranial neoplastic and non-neoplastic mass lesions. 176 mostly histologically verified lesions were studied with a constant clinically available single volume 1H-MRS protocol following routine MRI. 12 spectra (6.8%) were not of satisfactory diagnostic quality; 164 spectroscopic data sets were therefore available for definitive evaluation. Our study shows that spectroscopy added to MRI helps in tissue characterization of intracranial mass lesions, thereby leading to an improved diagnosis of focal brain disease. Non-neoplastic lesions such as cerebral infarctions and brain abscesses are marked by decreases in choline (Cho), creatine (Cr) and N-acetyl-aspartate (NAA), while tumours generally have elevated Cho and decreased levels of Cr and NAA. Gliomas exhibit significantly increased Cho and lipid formation with higher WHO tumour grading. Metastases have elevated Cho similar to anaplastic astrocytomas, but can be differentiated from high-grade gliomas by their higher lipid levels. Extra-axial tumours, i.e. meningiomas and neurinomas, are characterized by a nearly complete absence of the neuronal marker NAA. The additive information of 1H-MRS led to a 15.4%-higher number of correct diagnoses, to 6.2% fewer incorrect and 16% fewer equivocal diagnoses than with structural MRI data alone.

Polymer thin films and surfaces: possible effects of capillary waves.

It is discussed how the proximity of a free surface or mobile interface may affect the strain relaxation behavior in a viscoelastic material, such as a polymer melt. The eigenmodes of a viscoelastic film are thus derived, and applied in an attempt to explain the experimentally observed substantial shift of the glass transition temperature of sufficiently thin polymer films with respect to the bulk. Based on the idea that the polymer freezes due to memory effects in the material, and exploiting results from mode-coupling theory, the experimental findings of several independent groups can be accounted for quantitatively, with the elastic modulus at the glass transition temperature as the only fitting parameter. The model is finally applied discussing the possibility of polymer surface melting. A surface molten layer is predicted to exist, with a thickness diverging as the inverse of the reduced temperature. A simple model of thin polymer film freezing emerges which accounts for all features observed experimentally so far.

Shape of a liquid front upon dewetting.

The profile of a liquid front of a polymer film dewetting a solid substrate is examined by atomic force microscopy. The material removed from the substrate is accumulated in a rim next to the three-phase contact line. Theory predicts the leading edge of the rim profile to be a damped harmonic oscillation for a large class of systems. This is investigated experimentally for the first time, and we show that a non-Newtonian liquid behaves qualitatively different due to viscoelastic effects. It is pointed out that analysis of the rim shapes allows one to study quantitatively the rheological properties of complex fluids on a nanometer scale.