ENERGY-BASED MULTIFUNCTIONAL EFFICIENCY METRIC FOR MULTIFUNCTIONAL COMPOSITE ANODES IN STRUCTURAL BATTERIES

2021 ◽  
Author(s):  
TIANYANG ZHOU ◽  
JAMES G. BOYD ◽  
DIMITRIS C. LAGOUDAS
Keyword(s):  
Total Energy ◽  
Silicon Nanoparticles ◽  
Mean Field ◽  
Elastic Strain Energy ◽  
Functional Materials ◽  
Upper And Lower Bounds ◽  
Multifunctional Materials ◽  
Property Variation ◽  
Structural Support ◽  
Composite Anodes

A multifunctional efficiency metric is developed using mean-field micromechanics solutions to quantify the multifunctionality of the multifunctional composite anodes. Multifunctional efficiency metrics evaluate the volume and/or mass savings or performance increase when structural and functional materials are replaced by multifunctional materials [1]. The proposed methodology compares the total energy associated with different functionalities, such as elastic strain energy and electric charge energy of the multifunctional materials with the total energy of the single function structural and functional material. To achieve volume and mass savings, the energy of different functionalities is set to be the same between the multifunctional and traditional single- functional materials, and, at the same time, the volume and/or mass of the multifunctional composite needs to be smaller than that of the combination of single- functional materials. The volumes and/or mass savings can be expressed using the properties of multifunctional and traditional single-functional materials. In this work, structural anodes made from silicon nanoparticles, reduced graphene oxide, and aramid nanofibers are used as an example to calculate the mass savings compared to a traditional anode with structural support. The existing multifunctionality metrics are based on the rule of mixtures method, which is adequate for certain geometries and loading conditions, such as in-plane directions for laminate composites. However, if multifunctional composite materials involve multiple phases, material property variation during the charging process, and complex geometries or orientations of the structural and functional phases, a more comprehensive method is required to accurately capture the multifunctional efficiency. The multifunctional efficiency varies significantly during the charging and discharging process. This new metric can provide both upper and lower bounds of multifunctional efficiency. This new multifunctional efficiency metric will help optimize the selection and arrangement of different phases in the multifunctional and quantify the optimization results.

REMARKS ON THE NUCLEAR SHELL-CORRECTION METHOD

2009 ◽  
Vol 18 (01) ◽  
pp. 123-130 ◽  
Author(s):  
BOŻENA NERLO-POMORSKA ◽  
KRZYSZTOF POMORSKI ◽  
FEDIR IVANYUK
Keyword(s):  
Total Energy ◽  
Single Particle ◽  
Mean Field ◽  
Field Potential ◽  
Correction Method ◽  
Shell Correction ◽  
Nucleon Number ◽  
Shell Correction Energy ◽  
Nuclear Shell ◽  
Mean Field Potential

The shell-correction energy is calculated using the single-particle levels obtained with the folded-Yukawa mean-field potential. Three different ways of evaluation of the shell-correction are compared: the traditional Strutinsky method, the modified prescription by the smearing of the total energy sum in the nucleon number space, and the smoothing of the single-particle energies of occupied states and summing them up. The dependence of these three energies on nuclear elongation is investigated.

scholarly journals Multifunctional materials for OFETs, LEFETs and NIR PLEDs

2014 ◽  
Vol 2 (26) ◽  
pp. 5133-5141 ◽  
Author(s):  
T. T. Steckler ◽  
M. J. Lee ◽  
Z. Chen ◽  
O. Fenwick ◽  
M. R. Andersson ◽  
...  
Keyword(s):  
Single Layer ◽  
Functional Materials ◽  
Host Material ◽  
Multifunctional Materials

Phthalimide–thiophene copolymers are multi-functional materials that possess reasonably high PLQEs, ambipolar mobilities, and perform extremely well as a host material for single layer NIR emitting PLEDs.

Calculated Electronic Structure and Transport Properties of La.67Ca.33MnO3

1995 ◽  
Vol 384 ◽  
Author(s):  
W. H. Butler ◽  
X.-G. Zhang ◽  
J. M. Maclaren
Keyword(s):  
Electronic Structure ◽  
Total Energy ◽  
Transport Properties ◽  
Structural Properties ◽  
Magnetic Moments ◽  
Mean Field ◽  
Band Theory ◽  
Electrical Resistivities ◽  
Good Agreement

ABSTRACTWe have calculated the electronic structure, total energy, magnetic moments and electrical resistivities of La.67Ca.33MnO3 using mean field band theory. The magnetic and structural properties seem to be in good agreement with experiment. The calculations predict that La.67Ca.33MnO3 is metallic for the majority spins and semiconducting for the minority spins.

Stability, Instability and Bifurcation Modes of a Delayed Small World Network with Excitatory or Inhibitory Short-Cuts

2016 ◽  
Vol 26 (04) ◽  
pp. 1650070 ◽  
Author(s):  
Jing Zhou ◽  
Xu Xu ◽  
Dongyuan Yu ◽  
Zhuoqun Zheng
Keyword(s):  
Field Theory ◽  
Mean Field Theory ◽  
Mean Field ◽  
Sufficient Conditions ◽  
Small World ◽  
System Stability ◽  
Upper And Lower Bounds ◽  
Stability And Instability ◽  
The Mean ◽  
The Stability

This paper presents a detailed analysis on the stability and instability of a coupled oscillator network with small world connections. This network consists of regular connections, excitatory short-cuts or inhibitory short-cuts. By using the perturbation theory of matrix, we give the upper and lower bounds of maximum and minimum eigenvalues of the coupling strength matrix, and then give the generalized sufficient conditions that guarantee the system complete stability or complete instability. In addition, we analyze the effects of the short-cut possibility, excitatory or inhibitory short-cut strength and time delay on the system stability. We also analyze the instability mechanism and bifurcation modes. In addition, the studies on the robustness stability show that the stability of this network is more robust to change of short-cut connections than the regular network. Compared to the mean-field theory, the stability conditions from the proposed method are more conservational. However, the proposed method can guarantee the complete stability even if the randomness is in the system. They are more useful and adaptive than mean-field theory especially when the excitatory and inhibitory connections exist simultaneously.

scholarly journals Improving Lithium Metal Composite Anodes with Seeding and Pillaring Effects of Silicon Nanoparticles

ACS Nano ◽  
2020 ◽  
Vol 14 (4) ◽  
pp. 4601-4608 ◽  
Author(s):  
Hansen Wang ◽  
Xia Cao ◽  
Hanke Gu ◽  
Yayuan Liu ◽  
Yanbin Li ◽  
...  
Keyword(s):  
Silicon Nanoparticles ◽  
Metal Composite ◽  
Lithium Metal ◽  
Composite Anodes

scholarly journals Smart Responsive Polymers: Fundamentals and Design Principles

2020 ◽  
Vol 11 (1) ◽  
pp. 271-299 ◽  
Author(s):  
Debashish Mukherji ◽  
Carlos M. Marques ◽  
Kurt Kremer
Keyword(s):  
Mean Field ◽  
Functional Materials ◽  
Design Principles ◽  
Multiscale Simulation ◽  
Solvent Mixtures ◽  
Future Directions ◽  
Smart Polymer ◽  
Responsive Materials ◽  
Responsive Polymers ◽  
Polymer Properties

In this review, we summarize recent theoretical and computational developments in the field of smart responsive materials, together with complementary experimental data. A material is referred to as smart responsive when a slight change in external stimulus can drastically alter its structure, function, or stability. Because of this smart responsiveness, these systems are used for the design of advanced functional materials. The most characteristic properties of smart polymers are discussed, especially polymer properties in solvent mixtures. We show how multiscale simulation approaches can shed light on the intriguing experimental observations. Special emphasis is given to two symmetric phenomena: co-non-solvency and co-solvency. The first phenomenon is associated with the collapse of polymers in two miscible good solvents, whereas the latter is associated with the swelling of polymers in poor solvent mixtures. Furthermore, we discuss when the standard Flory–Huggins-type mean-field polymer theory can (or cannot) be applied to understand these complex solution properties. We also sketch a few examples to highlight possible future directions, that is, how smart polymer properties can be used for the design principles of advanced functional materials.

scholarly journals Poly(2-isopropenyl-2-oxazoline) as a Versatile Platform for Multi-Functional Materials

Proceedings ◽  
2019 ◽  
Vol 29 (1) ◽  
pp. 71 ◽  
Author(s):  
Florica Adriana Jerca ◽  
Valentin Victor Jerca ◽  
Dumitru Mircea Vuluga ◽  
Richard Hoogenboom
Keyword(s):  
Functional Materials ◽  
Multifunctional Materials

Multifunctional materials are designed to meet specific requirements through tailored properties. [...]

COMPUTER SIMULATION STUDY OF LATTICE SPIN MODELS IN ONE DIMENSION WITH LONG-RANGE INHOMOGENEOUS INTERACTIONS POSSESSING O(2) SYMMETRY

1996 ◽  
Vol 10 (09) ◽  
pp. 1095-1109 ◽  
Author(s):  
S. ROMANO
Keyword(s):  
Computer Simulation ◽  
Long Range ◽  
Mean Field ◽  
Upper And Lower Bounds ◽  
One Dimension ◽  
Pair Potentials ◽  
Qualitative Similarity ◽  
Lattice Spin Models ◽  
Two Parameters ◽  
Ordering Transition

We have considered a classical spin system, consisting of n-component unit vectors (n = 2, 3), associated with a semi-infinite lattice in one dimension {uk, k ∈ N+}, and interacting via inhomogeneous pair potentials, in general anisotropic in spin space, and of the long-range ferromagnetic form [Formula: see text] here ∊ is a positive constant setting energy and temperature scales (i.e. T* = k B T/∊), a ≥ 0, b ≥ 0, and the symbols uj, α denote cartesian components of the spins. For some specific values of the two parameters a and b, and on the basis of available theoretical results, one can prove the existence of an ordering transition taking place at finite temperature, and obtain rigorous upper and lower bounds on the transition temperatures. This holds, for example, when n = 2, 3, a > b = 0 (the models studied in our previous paper), as well as for n = 2, a = b > 0 and n = 3, b > a = 0, where a continuous O(2) symmetry of the interaction is involved. We have studied these two latter cases by computer simulation, and made comparison with mean-field treatment; simulation results show a broad qualitative similarity between the four models, and a closer, quantitative one, between pairs of models with the same number of spin components, especially for n = 2.

COMPUTER SIMULATION STUDY OF ONE-DIMENSIONAL LATTICE SPIN MODELS WITH LONG-RANGE INHOMOGENEOUS INTERACTIONS

1995 ◽  
Vol 09 (22) ◽  
pp. 1447-1459 ◽  
Author(s):  
S. ROMANO
Keyword(s):  
Computer Simulation ◽  
Long Range ◽  
Mean Field ◽  
Upper And Lower Bounds ◽  
Pair Potentials ◽  
The Mean ◽  
Lattice Spin Models ◽  
Ordering Transition ◽  
Theoretical Results ◽  
Unit Vectors

We have considered a classical spin system, consisting of n-component unit vectors (n = 2, 3), associated with a semi-infinite lattice in one dimension {uk, k ∈ N+}, and interacting via inhomogeneous pair potentials, anisotropic in spin space, and of the long-range ferromagnetic form [Formula: see text] here ∊ is a positive constant setting energy and temperature scales (i.e. T* = k B T/∊), a > 0, b ≥ 0, and the symbols uj,α denote Cartesian components of the spins. On the basis of available theoretical results, one can prove the existence of an ordering transition at a finite temperature for n ≥ 2, b = 0, as well as upper and lower bounds on the transition temperatures. We have studied the two cases n = 2, 3, b = 0, by computer simulation, and made a comparison with the Mean Field treatment.

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