Time-evolution of the Rule 150 cellular automaton activity from a Fibonacci iteration

The total activity of the single-seeded cellular rule 150 automaton does not follow a one-step iteration like other elementary cellular automata, but can be solved as a two-step vectorial, or string, iteration, which can be viewed as a generalization of Fibonacci iteration generating the time series from a sequence of vectors of increasing length. This allows to compute the total activity time series more efficiently than by simulating the whole spatio-temporal process, or even by using the closed expression.Comment: 4 pages (3 figs included

Biomechanical Study Using the Finite Element Method of Internal Fixation in Pauwels Type III Vertical Femoral Neck Fractures

Background: Several factors are known to influence osseous union of femoral neck fractures. Numerous clinical studies have reported different results, hence with different recommendations regarding treatment of Pauwels III fractures: femoral neck fractures with a more vertically oriented fracture line. The current study aimed to analyze biomechanically whether this fracture poses a higher risk of nonunion. Objectives: To analyze the influence of one designated factor, authors believe that a computerized fracture model, using a finite element Finite Element Method (FEM), may be essential to negate the influence of other factors. The current study aimed to investigate a single factor, i.e. orientation of the fracture line toward a horizontal line, represented by Pauwels classification. It was hypothesized that a model with a vertically oriented fracture line maintaining parity of all other related factors has a higher stress at the fracture site, which would delay fracture healing. This result can be applicable to other types of pinning. Patients and Methods: The finite element models were constructed from computed tomography data of the femur. Three fracture models, treated with pinning, were constructed based on Pauwels classification: Type I, 30° between the fracture line and a horizontal line; Type II, 50°; and Type III, 70°. All other factors were matched between the models. The Von Mises stress and principal stress distribution were examined along with the fracture line in each model. Results: The peak Von Mises stresses at the medial femoral neck of the fracture site were 35, 50 and 130 MPa in Pauwels type I, II, and III fractures, respectively. Additionally, the peak Von Mises stresses along with the fracture site at the lateral femoral neck were 140, 16, and 8 MPa in Pauwels type I, II, and III fractures, respectively. The principal stress on the medial femoral neck in Pauwels type III fracture was identified as a traction stress, whereas the principal stress on the lateral femoral neck in Pauwels type I fracture was a compression stress. Conclusions: The most relevant finding was that hook pinning in Pauwels type III fracture may result in delayed union or nonunion due to significantly increased stress of a traction force at the fracture site that works to displace the fracture. However, in a Pauwels type I fracture, increased compression stress contributes to stabilize it. Surgeons are recommended not to treat Pauwels type III femoral neck fractures by pinning

Critical minerals and energy-impacts and limitations of moving to unconventional resources

© 2016 by the authors. The nexus of minerals and energy becomes ever more important as the economic growth and development of countries in the global South accelerates and the needs of new energy technologies expand, while at the same time various important minerals are declining in grade and available reserves from conventional mining. Unconventional resources in the form of deep ocean deposits and urban ores are being widely examined, although exploitation is still limited. This paper examines some of the implications of the transition towards cleaner energy futures in parallel with the shifts through conventional ore decline and the uptake of unconventional mineral resources. Three energy scenarios, each with three levels of uptake of renewable energy, are assessed for the potential of critical minerals to restrict growth under 12 alternative mineral supply patterns. Under steady material intensities per unit of capacity, the study indicates that selenium, indium and tellurium could be barriers in the expansion of thin-film photovoltaics, while neodymium and dysprosium may delay the propagation of wind power. For fuel cells, no restrictions are observed

Decentralised energy futures: The changing emissions reduction landscape

© 2015 The Authors. Published by Elsevier B.V. The world is witnessing an energy revolution as renewables become more competitive and energy security becomes a high priority for an increasing number of countries. This development is changing the point along the supply chain ripe for reducing emissions. Whereas carbon capture and storage (CCS) coupled to coal or gas power production offers the potential to decarbonise the current centralised power systems, this relies on a significant increase in electrification to achieve deep emission reductions beyond the power sector, including industrial emissions and transportation. At the same time there is a trend towards decentralised industrial processes, e.g., driven by cost reductions in decentralised production systems and miniature processing plant. New strategies for reducing emissions from decentralised industrial and energy emission point sources will be increasingly important. This paper evaluates different emission reduction strategies that may be relevant to a decentralised energy and manufacturing future, including increased electrification, energy storage, renewable energy and renewable feedstock. Systemic opportunities or barriers and considerations of policy and decentralised decision-making are examined

Bogoliubov-de Gennes study of trapped spin-imbalanced unitary Fermi gases

It is quite common that several different phases exist simultaneously in a system of trapped quantum gases of ultra-cold atoms. One such example is the strongly-interacting Fermi gas with two imbalanced spin species, which has received a great amount of attention due to the possible presence of exotic superfluid phases. By employing novel numerical techniques and algorithms, we self-consistently solve the Bogoliubov de-Gennes equations, which describe Fermi superfluids in the mean-field framework. From this study, we investigate the novel phases of spin-imbalanced Fermi gases and examine the validity of the local density approximation (LDA), which is often invoked in the extraction of bulk properties from experimental measurements within trapped systems. We show how the validity of the LDA is affected by the trapping geometry, number of atoms and spin imbalance.Comment: 15 pages, 5 figures, to be published in New J. Phys. (focus issue on "Strongly Correlated Quantum Fluids: From Ultracold Quantum Gases to QCD Plasmas"

Representations and KK-theory of Discrete Groups

Let $\Gamma$ be a discrete group of finite virtual cohomological dimension with certain finiteness conditions of the type satisfied by arithmetic groups. We define a representation ring for $\Gamma$, determined on its elements of finite order, which is of finite type. Then we determine the contribution of this ring to the topological $K$-theory $K^*(B\Gamma)$, obtaining an exact formula for the difference in terms of the cohomology of the centralizers of elements of finite order in $\Gamma$.Comment: 4 page

A combined quantum-classical method applied to material design: optimization and discovery of photochromic materials for photopharmacology applications

Integration of quantum chemistry simulations, machine learning techniques, and optimization calculations is expected to accelerate material discovery by making large chemical spaces amenable to computational study; a challenging task for classical computers. In this work, we develop a combined quantum-classical computing scheme involving the computational-basis Variational Quantum Deflation (cVQD) method for calculating excited states of a general classical Hamiltonian, such as Ising Hamiltonian. We apply this scheme to the practical use case of generating photochromic diarylethene (DAE) derivatives for photopharmacology applications. Using a data set of 384 DAE derivatives quantum chemistry calculation results, we show that a factorization-machine-based model can construct an Ising Hamiltonian to accurately predict the wavelength of maximum absorbance of the derivatives, $\lambda_{\rm max}$, for a larger set of 4096 DAE derivatives. A 12-qubit cVQD calculation for the constructed Ising Hamiltonian provides the ground and first four excited states corresponding to five DAE candidates possessing large $\lambda_{\rm max}$. On a quantum simulator, results are found to be in excellent agreement with those obtained by an exact eigensolver. Utilizing error suppression and mitigation techniques, cVQD on a real quantum device produces results with accuracy comparable to the ideal calculations on a simulator. Finally, we show that quantum chemistry calculations for the five DAE candidates provides a path to achieving large $\lambda_{\rm max}$ and oscillator strengths by molecular engineering of DAE derivatives. These findings pave the way for future work on applying hybrid quantum-classical approaches to large system optimization and the discovery of novel materials.Comment: 13pages, 9 figure

An Improved Initialization Procedure for the Density-Matrix Renormalization Group

We propose an initialization procedure for the density-matrix renormalization group (DMRG): {\it the recursive sweep method}. In a conventional DMRG calculation, the infinite-algorithm, where two new sites are added to the system at each step, has been used to reach the target system size. We then need to obtain the ground state for a different system size for every site addition, so 1) it is difficult to supply a good initial vector for the numerical diagonalization for the ground state, and 2) when the system reduced to a 1D system consists of an array of nonequivalent sites as in ladders or Hubbard-Holstein model, special care has to be taken. Our procedure, which we call the {\it recursive sweep method}, provides a solution to these problems and in fact provides a faster algorithm for the Hubbard model as well as more complicated ones such as the Hubbard-Holstein model.Comment: 4 pages, 4 figures, submitted to JPS

Genes in S and T Subgenomes Are Responsible for Hybrid Lethality in Interspecific Hybrids between Nicotiana tabacum and Nicotiana occidentalis

Many species of Nicotiana section Suaveolentes produce inviable F(1) hybrids after crossing with Nicotiana tabacum (genome constitution SSTT), a phenomenon that is often called hybrid lethality. Through crosses with monosomic lines of N. tabacum lacking a Q chromosome, we previously determined that hybrid lethality is caused by interaction between gene(s) on the Q chromosome belonging to the S subgenome of N. tabacum and gene(s) in Suaveolentes species. Here, we examined if hybrid seedlings from the cross N. occidentalis (section Suaveolentes)×N. tabacum are inviable despite a lack of the Q chromosome.Hybrid lethality in the cross of N. occidentalis×N. tabacum was characterized by shoots with fading color. This symptom differed from what has been previously observed in lethal crosses between many species in section Suaveolentes and N. tabacum. In crosses of monosomic N. tabacum plants lacking the Q chromosome with N. occidentalis, hybrid lethality was observed in hybrid seedlings either lacking or possessing the Q chromosome. N. occidentalis was then crossed with two progenitors of N. tabacum, N. sylvestris (SS) and N. tomentosiformis (TT), to reveal which subgenome of N. tabacum contains gene(s) responsible for hybrid lethality. Hybrid seedlings from the crosses N. occidentalis×N. tomentosiformis and N. occidentalis×N. sylvestris were inviable.Although the specific symptoms of hybrid lethality in the cross N. occidentalis×N. tabacum were similar to those appearing in hybrids from the cross N. occidentalis×N. tomentosiformis, genes in both the S and T subgenomes of N. tabacum appear responsible for hybrid lethality in crosses with N. occidentalis

Retardation effects in the Holstein-Hubbard chain at half-filling

The ground state phase diagram of the half-filled one-dimensional Holstein-Hubbard model contains a charge-density-wave (CDW) phase, driven by the electron-phonon (e-ph) coupling, and a spin-density-wave (SDW) phase, driven by the on-site electron-electron (e-e) repulsion. Recently, the existence of a third phase, which is metallic and lies in a finite region of parameter space between these two gapped phases, has been claimed. We study this claim using a renormalization-group method for interacting electrons that has been extended to include also e-ph couplings. Our method treats e-e and e-ph interactions on an equal footing and takes retardation effects fully into account. We find a direct transition between the spin- and charge-density wave states. We study the effects of retardation, which are particularly important near the transition, and find that Umklapp processes at finite frequencies drive the CDW instability close to the transition. We also perform determinantal quantum Monte Carlo calculations of correlation functions to confirm our results for the phase diagram.Comment: 4 page