Janus dimers from tunable phase separation and reactivity ratios

2020 ◽  
Vol 11 (28) ◽  
pp. 4639-4646 ◽  
Author(s):  
Lei Tian ◽  
Bei Li ◽  
Xue Li ◽  
Qiuyu Zhang
Keyword(s):  
Phase Separation ◽  
Anisotropic Material ◽  
Reactivity Ratios ◽  
Practical Applications ◽  
Typical Species ◽  
Theoretical Simulations

Janus dimers, as a typical species of anisotropic material, are useful for both theoretical simulations and practical applications.

scholarly journals Theoretical simulations of deformation coupling with phase separation of two-component charged vesicles in a two-dimensional plane

2018 ◽  
Vol 67 (3) ◽  
pp. 038701
Author(s):  
Duan Hua ◽  
Li Jian-Feng ◽  
Zhang Hong-Dong
Keyword(s):  
Phase Separation ◽  
Two Dimensional ◽  
Dimensional Plane ◽  
Two Component ◽  
Theoretical Simulations

scholarly journals Identification of representative anisotropic material properties accounting for friction and preloading effects: A contribution for the modeling of structural dynamics of electric motor stators

2016 ◽  
Vol 24 (2) ◽  
pp. 237-259 ◽  
Author(s):  
Pierre Millithaler ◽  
Émeline Sadoulet-Reboul ◽  
Morvan Ouisse ◽  
Jean-Baptiste Dupont ◽  
Noureddine Bouhaddi
Keyword(s):  
Dynamic Behavior ◽  
Structural Dynamics ◽  
Electric Motor ◽  
Material Properties ◽  
Anisotropic Material ◽  
Equivalent Material ◽  
Low Frequencies ◽  
Practical Applications ◽  
Steel Sheets ◽  
Equivalent Material Properties

Simulating the dynamic behavior and determining equivalent material properties for anisotropic models, superelements or structures subjected to preloads or friction remains a challenging issue. Amongst other practical applications, modeling interactions between the steel sheets in industrial magnetic cores of electric motor stators is a complex task, as it requires anticipating behavioral heterogeneities in the structure, and possibly represents significantly costly operations for performing modal or dynamic response simulations. In this article, a method for identifying equivalent material properties to anisotropic structures is developed, which is able to take into account the influence of preloads and friction on the material properties, later used in structural dynamics simulations. The proposed approach can be used with superelements, converting stiffness matrices into elasticity matrices. The method is first applied to a triclinic model, and recreates its elasticity matrix with little derivation. Then, an equivalent linear material is computed for a continuous structure under preloading. Compared at low frequencies, the vibration behavior of the preloaded structure and its equivalent effective media are in good agreement. The operation is repeated with a laminated stack under preloading. Again, the dynamic behavior of the equivalent structure shows good accuracy compared to the initial preloaded stack. Finally, the magnetic core of an electric machine stator is modeled with equivalent anisotropic material properties, accounting for friction and preload in the yoke's and the teeth's steel sheets. The simulation of the structure's low-frequency radial vibration modes is satisfying, and shows improvement compared to orthotropic properties.

Slip Line Field of Anisotropic Soil

1974 ◽  
Vol 41 (2) ◽  
pp. 453-458 ◽  
Author(s):  
J. Greenstein ◽  
M. Livneh
Keyword(s):  
Anisotropic Material ◽  
Yield Function ◽  
Isotropic Case ◽  
Two Dimensional ◽  
Equilibrium Equations ◽  
Line Field ◽  
Slip Line Field ◽  
Practical Applications ◽  
Perfectly Plastic ◽  
Anisotropic Soil

This paper is concerned with anisotropic material in the two-dimensional case. A general yield function is postulated, and it is shown that both the equilibrium equations and the velocity equations are hyperbolic. Moreover, in the perfectly plastic-rigid media the velocity characteristics coincide with the stress characteristics. Thus, for practical applications, once the parameters of the yield function have been found for the anisotropic material, the conventional method of the isotropic case may be adopted, using the relevant relationships along the characteristics. An illustrative example is given.

scholarly journals Hydrophobic residues advance the onset of simple coacervation in intrinsically disordered proteins at low densities: Insights from field theoretical simulations studies

2021 ◽  
Author(s):  
Satwik Ramanjanappa ◽  
Sahithya S. Iyer ◽  
Anand Srivastava
Keyword(s):  
Phase Separation ◽  
Intrinsically Disordered Proteins ◽  
Hydrophobic Interactions ◽  
Amino Acid Sequences ◽  
Coarse Grained ◽  
Disordered Proteins ◽  
Intrinsically Disordered ◽  
Starting Point ◽  
Theoretical Simulations ◽  
The Way

AbstractIntrinsically disordered proteins (IDPs) have engendered a definitive change in the way we think about the classical “sequence-structure-function” dogma. Their conformational pliability and rich molecular recognition features endow them with the ability to bind to diverse partners and predispose them to an elaborate functional armory. And of late, with studies on IDP-based liquid-liquid phase separation (LLPS) leading to formation of functional subcellular coacervates - best described as “membrane-less organelles (MLOs)”, IDPs are also bringing about paradigmatic changes in the way we think about biomolecular assemblies and subcellular organization. Though it is well recognized that the phase behavior of a given IDP is tightly coupled to its amino-acid sequences, there are only a few theories to model polyampholyte coacervation for IDPs. Recently, Joan-Emma Shea and co-workers used field theoretical simulations (FTS) to elucidate the complete phase diagram for LLPS of IDPs by considering different permutations of 50-residues chain representing 25 Lysine and 25 Glutamic acid [1]. Our work is an extension of that FTS framework where we develop and solve an augmented Hamiltonian that also accounts for hydrophobic interactions in the chain. We show that incorporation of hydrophobic interactions result in an advanced onset of coacervation at low densities. The patterning of hydrophobic, positive and negative residues plays important role in determining relative differences in the onset of phase separation. Though still very coarse-grained, once additional chemical specificities are incorporated, these high throughput analytical theory methods can be used as a starting point for designing sequences that drive LLPS.

scholarly journals Efficient Encoding of the Weighted MAX $$k$$-CUT on a Quantum Computer Using QAOA

2021 ◽  
Vol 2 (2) ◽  
Author(s):  
Franz G. Fuchs ◽  
Herman Øie Kolden ◽  
Niels Henrik Aase ◽  
Giorgio Sartor
Keyword(s):  
Phase Separation ◽  
Quantum Computer ◽  
Undirected Graph ◽  
Approximate Solutions ◽  
Test Cases ◽  
Weighted Graphs ◽  
Intermediate Scale ◽  
Practical Applications ◽  
Binary Encoding ◽  
New Formulation

AbstractThe weighted MAX $$k$$ k -CUT problem consists of finding a k-partition of a given weighted undirected graph G(V, E), such that the sum of the weights of the crossing edges is maximized. The problem is of particular interest as it has a multitude of practical applications. We present a formulation of the weighted MAX $$k$$ k -CUT suitable for running the quantum approximate optimization algorithm (QAOA) on noisy intermediate scale quantum (NISQ) devices to get approximate solutions. The new formulation uses a binary encoding that requires only $$|V|\log _2k$$ | V | log 2 k qubits. The contributions of this paper are as follows: (i) a novel decomposition of the phase-separation operator based on the binary encoding into basis gates is provided for the MAX $$k$$ k -CUT problem for $$k>2$$ k > 2 . (ii) Numerical simulations on a suite of test cases comparing different encodings are performed. (iii) An analysis of the resources (number of qubits, CX gates) of the different encodings is presented. (iv) Formulations and simulations are extended to the case of weighted graphs. For small k and with further improvements when k is not a power of two, our algorithm is a possible candidate to show quantum advantage on NISQ devices.

scholarly journals Enhancement of Luminescence Dissymmetry Factor in Nano-Segregated Phase Generated by Phase Separation between Helical Nanofilaments and Liquid-Crystalline Smectic A Phase

Crystals ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 952 ◽  
Author(s):  
Jae-Jin Lee ◽  
Suk-Won Choi
Keyword(s):  
Phase Separation ◽  
Order Parameter ◽  
Liquid Crystalline ◽  
Phase System ◽  
Dye Molecules ◽  
Circularly Polarized ◽  
Practical Applications ◽  
Smectic A ◽  
Smectic A Phase ◽  
Main Disadvantage

Although several methods exist for the synthesis of circularly polarized luminescent (CPL) materials, the methods are extremely complex and tedious. In recent years, the chiral host-achiral luminescent guest method and the achiral host-achiral luminescent guest method have been employed to fabricate CPL materials; however, the main disadvantage of the latter is the small luminescence dissymmetry factor (glum) that limits the practical applications of the method. Therefore, this study reports on the enhancement of glum in a nano-segregated phase system, generated by the phase separation between helical nanofilaments (HNFs; originating from an achiral bent-core molecule) and a liquid-crystalline (LC) smectic A (SmA) phase (originating from an achiral rod-like mesogen). The observed glum value in the nano-segregated phase between the HNFs and LC SmA phase was larger than that in the nano-segregated phase between the HNFs and LC nematic (N) phase. The enhancement of the glum value was attributed to the order parameter (S) of the dye molecules in the SmA phase being larger than that in the N phase. Therefore, we concluded that the S value of the fluorescent dye molecules, doped into the embedded LC phase between the HNFs, strongly influenced the glum value.

scholarly journals Silicon Nanoscale Materials: From Theoretical Simulations to Photonic Applications

2012 ◽  
Vol 2012 ◽  
pp. 1-21 ◽  
Author(s):  
Leonid Khriachtchev ◽  
Stefano Ossicini ◽  
Fabio Iacona ◽  
Fabrice Gourbilleau
Keyword(s):  
Nanoscale Materials ◽  
Single Chip ◽  
Research Activity ◽  
Light Emitting ◽  
Practical Applications ◽  
Si Photonics ◽  
Optical Functions ◽  
Low Efficiency ◽  
Theoretical Simulations ◽  
Remarkable Progress

The combination of photonics and silicon technology is a great challenge because of the potentiality of coupling electronics and optical functions on a single chip. Silicon nanocrystals are promising in various areas of photonics especially for light-emitting functionality and for photovoltaic cells. This review describes the recent achievements and remaining challenges of Si photonics with emphasis on the perspectives of Si nanoscale materials. Many of the results and properties can be simulated and understood based on theoretical studies. However, some of the key questions like the light-emitting mechanism are subjects of intense debates despite a remarkable progress in the recent years. Even more complex and important is to move the known experimental observations towards practical applications. The demonstrated devices and approaches are often too complex and/or have too low efficiency. However, the challenge to combine optical and electrical functions on a chip is very strong, and we expect more research activity in the field of Si nanophotonics in the future.

Phase Separation in Thermosetting Blends Studied by Dynamic Dielectric Analysis

1996 ◽  
Vol 8 (1) ◽  
pp. 1-17 ◽  
Author(s):  
Ivana K Partridge ◽  
George M Maistros
Keyword(s):  
Phase Separation ◽  
Data Analysis ◽  
Carbon Fibre ◽  
Fibre Composite ◽  
Dielectric Analysis ◽  
Practical Applications ◽  
Ion Doping ◽  
Thermoplastic Blends ◽  
Glass Fibre Composite

Phase separation in unreinforced reactive blends has been studied using a variety of experimental techniques. A brief review of such studies is given, followed by a detailed description of the theory and practical applications of the new technique of dynamic dielectric analysis, DDA, as used in this context. Methods of data analysis and the extent of information available from in situ, real-time, measurements by dynamic dielectric analysis are illustrated by examples of results on model blends of simple epoxy/hardener mixtures with CTBN or POP rubber, or thermoplastic PES or PMMA. Deliberate ion doping is shown to enhance the phase separation features in the dielectric signal. Data are also presented on complex commercial thermoset/thermoplastic blends utilized as the resin matrices in carbon fibre pre-preg systems. Phase separation in a blend of epoxy and thermoplastic PEI can be studied by DDA within a glass fibre composite; this presents no additional difficulty compared with the studies of the corresponding unreinforced blend.

Bulk standards for low-temperature biological x-ray microanalysis

1984 ◽  
Vol 42 ◽  
pp. 282-283
Author(s):  
P. Echlin ◽  
M. McKoon ◽  
E.S. Taylor ◽  
C.E. Thomas ◽  
K.L. Maloney ◽  
...  
Keyword(s):  
Phase Separation ◽  
Low Temperature ◽  
Analytical Method ◽  
Salt Solutions ◽  
Absolute Concentration ◽  
Cooling Process ◽  
X Ray ◽  
The Absolute ◽  
Analytical Procedures ◽  
Electrical Conductors

Although sections of frozen salt solutions have been used as standards for x-ray microanalysis, such solutions are less useful when analysed in the bulk form. They are poor thermal and electrical conductors and severe phase separation occurs during the cooling process. Following a suggestion by Whitecross et al we have made up a series of salt solutions containing a small amount of graphite to improve the sample conductivity. In addition, we have incorporated a polymer to ensure the formation of microcrystalline ice and a consequent homogenity of salt dispersion within the frozen matrix. The mixtures have been used to standardize the analytical procedures applied to frozen hydrated bulk specimens based on the peak/background analytical method and to measure the absolute concentration of elements in developing roots.

Ion Beam Induced Interfacial Reactions in Molybdenum Thin Films on Silicon

1981 ◽  
Vol 39 ◽  
pp. 162-163
Author(s):  
L. J. Chen ◽  
L. S. Hung ◽  
J. W. Mayer
Keyword(s):  
Ion Beam ◽  
Chemical Vapor ◽  
Interfacial Reactions ◽  
Practical Applications ◽  
Microelectronic Devices ◽  
Recent Emergence ◽  
Chemical Vapor Deposited ◽  
Atomic Mixing ◽  
Silicon Interface ◽  
Kinetics Of

When an energetic ion penetrates through an interface between a thin film (of species A) and a substrate (of species B), ion induced atomic mixing may result in an intermixed region (which contains A and B) near the interface. Most ion beam mixing experiments have been directed toward metal-silicon systems, silicide phases are generally obtained, and they are the same as those formed by thermal treatment.Recent emergence of silicide compound as contact material in silicon microelectronic devices is mainly due to the superiority of the silicide-silicon interface in terms of uniformity and thermal stability. It is of great interest to understand the kinetics of the interfacial reactions to provide insights into the nature of ion beam-solid interactions as well as to explore its practical applications in device technology.About 500 Å thick molybdenum was chemical vapor deposited in hydrogen ambient on (001) n-type silicon wafer with substrate temperature maintained at 650-700°C. Samples were supplied by D. M. Brown of General Electric Research & Development Laboratory, Schenectady, NY.

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