Theoretical investigation of twin boundaries in WO3_3: Structure, properties and implications for superconductivity

We present a theoretical study of the structure and functionality of ferroelastic domain walls in tungsten trioxide, WO$_3$. WO$_3$ has a rich structural phase diagram, with the stability and properties of the various structural phases strongly affected both by temperature and by electron doping. The existence of superconductivity is of particular interest, with the underlying mechanism as of now not well understood. In addition, reports of enhanced superconductivity at structural domain walls are particularly intriguing. Focusing specifically on the orthorhombic $\beta$ phase, we calculate the structure and properties of the domain walls both with and without electron doping. We use two theoretical approaches: Landau-Ginzburg theory, with free energies constructed from symmetry considerations and parameters extracted from our first-principles density functional calculations, and direct calculation using large-scale, GPU-enabled density functional theory. We find that the structure of the $\beta$-phase domain walls resembles that of the bulk tetragonal $\alpha_1$ phase, and that the electronic charge tends to accumulate at the walls. Motivated by this finding, we perform ab initio computations of electron-phonon coupling in the bulk $\alpha_1$ structure and extract the superconducting critical temperatures , $T_c$, within Bardeen-Cooper-Schrieffer theory. Our results provide insight into the experimentally observed unusual trend of decreasing Tc with increasing electronic charge carrier concentration.Comment: 19 pages, 15 figure

Tetrathiomolybdate inhibits head and neck cancer metastasis by decreasing tumor cell motility, invasiveness and by promoting tumor cell anoikis

<p>Abstract</p> <p>Background</p> <p>The metastatic spread of solid tumors is directly or indirectly responsible for most cancer-related deaths. Tumor metastasis is very complex and this process requires a tumor cell to acquire enhanced motility, invasiveness and anoikis resistance to successfully establish a tumor at a distal site. Metastatic potential of tumor cells is directly correlated with the expression levels of several angiogenic cytokines. Copper is a mandatory cofactor for the function of many of these angiogenic mediators as well as other proteins that play an important role in tumor cell motility and invasiveness. We have previously shown that tetrathiomolybdate (TM) is a potent chelator of copper and it mediates its anti-tumor effects by suppressing tumor angiogenesis. However, very little is known about the effect of TM on tumor cell function and tumor metastasis. In this study, we explored the mechanisms underlying TM-mediated inhibition of tumor metastasis.</p> <p>Results</p> <p>We used two <it>in vivo </it>models to examine the effects of TM on tumor metastasis. Animals treated with TM showed a significant decrease in lung metastasis in both <it>in vivo </it>models as compared to the control group. In addition, tumor cells from the lungs of TM treated animals developed significantly smaller colonies and these colonies had significantly fewer tumor cells. TM treatment significantly decreased tumor cell motility and invasiveness by inhibiting lysyl oxidase (LOX) activity, FAK activation and MMP2 levels. Furthermore, TM treatment significantly enhanced tumor cell anoikis by activating p38 MAPK cell death pathway and by downregulating XIAP survival protein expression.</p> <p>Conclusions</p> <p>Taken together, these results suggest that TM is a potent suppressor of head and neck tumor metastasis by modulating key regulators of tumor cell motility, invasiveness and anoikis resistance.</p

Charged domain walls in improper ferroelectric hexagonal manganites and gallates

Ferroelectric domain walls are attracting broad attention as atomic-scale switches, diodes and mobile wires for next-generation nanoelectronics. Charged domain walls in improper ferroelectrics are particularly interesting as they offer multifunctional properties and an inherent stability not found in proper ferroelectrics. Here we study the energetics and structure of charged walls in improper ferroelectric YMnO$_3$, InMnO$_3$ and YGaO$_3$ by first principles calculations and phenomenological modeling. Positively and negatively charged walls are asymmetric in terms of local structure and width, reflecting that polarization is not the driving force for domain formation. The wall width scales with the amplitude of the primary structural order parameter and the coupling strength to the polarization. We introduce general rules for how to engineer $n$- and $p$-type domain wall conductivity based on the domain size, polarization and electronic band gap. This opens the possibility of fine-tuning the local transport properties and design $p$-$n$-junctions for domain wall-based nano-circuitry.Comment: 10 pages, 6 figures, Supp. Info. available on reques

Leggett Modes Accompanying Crystallographic Phase Transitions

Higgs and Goldstone modes, well known in high-energy physics, have been realized in a number of condensed matter physics contexts, including superconductivity and magnetism. The Goldstone-Higgs concept is also applicable to and gives rise to new insight on structural phase transitions. Here, we show that the Leggett mode, a collective mode observed in multiband superconductors, also has an analog in crystallographic phase transitions. Such structural Leggett modes can occur in the phase channel as in the original work of Leggett [Prog. Theor. Phys. 36, 901 (1966)PTPKAV0033-068X10.1143/PTP.36.901]. That is, they are antiphase Goldstone modes (antiphasons). In addition, a new collective mode can also occur in the amplitude channel, an out-of phase (antiphase) Higgs mode, that should be observable in multiband superconductors as well. We illustrate the existence and properties of these structural Leggett modes using the example of the pyrochlore relaxor ferroelectric Cd2Nb2O7

Tormund's return: Hints of quasi-periodic eruption features from a recent optical tidal disruption event

Quasi-periodic eruptions (QPEs) are repeating thermal X-ray bursts associated with accreting massive black holes, the precise underlying physical mechanisms of which are still unclear. We present a new candidate QPE source, AT 2019vcb (nicknamed Tormund by the ZTF collaboration), which was found during an archival search for QPEs in the XMM-Newton archive. It was first discovered in 2019 as an optical tidal disruption event (TDE) at $z=0.088$, and its X-ray follow-up exhibited QPE-like properties. Our goals are to verify its robustness as QPE candidate and to investigate its properties to improve our understanding of QPEs. We performed a detailed study of the X-ray spectral behaviour of this source over the course of the XMM-Newton archival observation. We also report on recent Swift and NICER follow-up observations to constrain the source's current activity and overall lifetime, as well as an optical spectral follow-up. The first two Swift detections and the first half of the 30 ks XMM-Newton exposure of Tormund displayed a decaying thermal emission typical of an X-ray TDE. However, the second half of the exposure showed a dramatic rise in temperature (from 53 to 114 eV) and 0.2-2 keV luminosity (from $3.2\times10^{42}$ to $1.2\times10^{44}$ erg s$^{-1}$). The late-time NICER follow-up indicates that the source is still X-ray bright more than three years after the initial optical TDE. Although only a rise phase was observed, Tormund's strong similarities with a known QPE source (eRO-QPE1) and the impossibility to simultaneously account for all observational features with alternative interpretations allow us to classify Tormund as a candidate QPE. If confirmed as a QPE, it would further strengthen the observational link between TDEs and QPEs. It is also the first QPE candidate for which an associated optical TDE was directly observed, constraining the formation time of QPEs.Comment: Accepted for publication in A&A, 20 pages, 17 figure

Effectively Mapping Linguistic Abstractions for Message-passing Concurrency to Threads on the Java Virtual Machine

Efficient mapping of message passing concurrency (MPC) abstractions to Java Virtual Machine (JVM) threads is critical for performance, scalability, and CPU utilization; but tedious and time consuming to perform manually. In general, this mapping cannot be found in polynomial time, but we show that by exploiting the local characteristics of MPC abstractions and their communication patterns this mapping can be determined effectively. We describe our MPC abstraction to thread mapping technique, its realization in two frameworks (Panini and Akka), and its rigorous evaluation using several benchmarks from representative MPC frameworks. We also compare our technique against four default mapping techniques: thread-all, round-robin-task-all, random-task-all and work-stealing. Our evaluation shows that our mapping technique can improve the performance by 30%-60% over default mapping techniques. These improvements are due to a number of challenges addressed by our technique namely: i) balancing the computations across JVM threads, ii) reducing the communication overheads, iii) utilizing information about cache locality, and iv) mapping MPC abstractions to threads in a way that reduces the contention between JVM threads

The political identities of neighbourhood planning in England

The rise of neighbourhood planning has been characterised as another step in a remorseless de-politicisation of the public sphere. A policy initiated by the Coalition Government in England to create the conditions for local communities to support housing growth, neighbourhood planning appears to evidence a continuing retreat from political debate and contestation. Clear boundaries are established for the holistic integration of participatory democracy into the strategic plan-making of the local authority. These boundaries seek to take politics out of development decisions and exclude all issues of contention from discussion. They achieve this goal at the cost of arming participatory democracy with a collective identity around which new antagonisms may develop. Drawing on the post-political theories of Chantal Mouffe this paper identifies the return of antagonism and conflict to participation in spatial planning. Key to its argument is the concept of the boundary or frontier that in Mouffe’s theoretical framework institutionalises conflict between political entities. Drawing on primary research with neighbourhood development plans in England the paper explores how boundary conditions and boundary designations generate antagonism and necessitate political action. The paper charts the development of the collective identities that result from these boundary lines and argues for the potential for neighbourhood planning to restore political conflict to the politics of housing development

TriCurin, a novel formulation of curcumin, epicatechin gallate, and resveratrol, inhibits the tumorigenicity of human papillomaviruspositive head and neck squamous cell carcinoma

Head and neck squamous cell carcinoma (HNSCC) is the sixth most prevalent cancer worldwide with about 600,000 new cases diagnosed in the last year. The incidence of human papillomavirus-positive head and neck squamous cell carcinoma (HPV-positive HNSCC) has rapidly increased over the past 30 years prompting the suggestion that an epidemic may be on the horizon. Therefore, there is a clinical need to develop alternate therapeutic strategies to manage the growing number of HPV-positive HNSCC patients. TriCurin is a composition of three food-derived polyphenols in unique stoichiometric proportions consisting of curcumin from the spice turmeric, resveratrol from red grapes, and epicatechin gallate from green tea. Cell viability, clonogenic survival, and tumorsphere formation were inhibited and significant apoptosis was induced by TriCurin in UMSCC47 and UPCI:SCC090 HPV-positive HNSCC cells. Moreover, TriCurin decreased HPV16E6 and HPV16E7 and increased p53 levels. In a pre-clinical animal model of HPV-positive HNSCC, intratumoral injection of TriCurin significantly inhibited tumor growth by 85.5% compared to vehicle group (P \u3c 0.05, n = 7). Our results demonstrate that TriCurin is a potent anti-tumor agent for HPV-positive HNSCC. Further development of TriCurin as a novel anti-cancer therapeutic to manage the HPV-positive HNSCC population is warranted