Predicting dislocation climb: Classical modeling versus atomistic simulations

The classical modeling of dislocation climb based on a continuous description of vacancy diffusion is compared to recent atomistic simulations of dislocation climb in body-centered cubic iron under vacancy supersaturation [Phys. Rev. Lett. 105 095501 (2010)]. A quantitative agreement is obtained, showing the ability of the classical approach to describe dislocation climb. The analytical model is then used to extrapolate dislocation climb velocities to lower dislocation densities, in the range corresponding to experiments. This allows testing of the validity of the pure climb creep model proposed by Kabir et al. [Phys. Rev. Lett. 105 095501 (2010)]

Flip dynamics in octagonal rhombus tiling sets

We investigate the properties of classical single flip dynamics in sets of two-dimensional random rhombus tilings. Single flips are local moves involving 3 tiles which sample the tiling sets {\em via} Monte Carlo Markov chains. We determine the ergodic times of these dynamical systems (at infinite temperature): they grow with the system size $N_T$ like $Cst. N_T^2 \ln N_T$; these dynamics are rapidly mixing. We use an inherent symmetry of tiling sets and a powerful tool from probability theory, the coupling technique. We also point out the interesting occurrence of Gumbel distributions.Comment: 5 Revtex pages, 4 figures; definitive versio

Kink pair production and dislocation motion

The motion of extended defects called dislocations controls the mechanical properties of crystalline materials such as strength and ductility. Under moderate applied loads, this motion proceeds via the thermal nucleation of kink pairs. The nucleation rate is known to be a highly nonlinear function of the applied load, and its calculation has long been a theoretical challenge. In this article, a stochastic path integral approach is used to derive a simple, general, and exact formula for the rate. The predictions are in excellent agreement with experimental and computational investigations, and unambiguously explain the origin of the observed extreme nonlinearity. The results can also be applied to other systems modelled by an elastic string interacting with a periodic potential, such as Josephson junctions in superconductors

Machina ex Deus? From Distributed to Orchestrated Agency

In this chapter, the author draws on a historical case study of the Australian wine industry to explore variations in collective agency. The inductively derived process model illustrates the emergence of a new profession of scientific win- emaking, which unfolds in three phases. Each phase is characterized by a dis- tinct form of agency: distributed agency during the earliest phase, coordinated agency during later phases, and orchestrated agency during consolidation. In addition to exploring the temporal shifts in agency, the study includes a detailed analysis of the early stages of distributed agency, examining how col- lective agency is achieved in the absence of shared intentions

Expert Consensus on the Characteristics of Patients with Epstein–Barr Virus-Positive Post-Transplant Lymphoproliferative Disease (EBV+ PTLD) for Whom Standard-Dose Chemotherapy May be Inappropriate: A Modified Delphi Study

Introduction: Following hematopoietic stem cell transplantation or solid organ transplantation, patients are at risk of developing Epstein–Barr virus-positive post-transplant lymphoproliferative disease (EBV+ PTLD), which is an ultra-rare and potentially lethal hematologic malignancy. Common treatments for EBV+ PTLD include rituximab alone or combined with chemotherapy. Given specific considerations for this population, including severity of the underlying condition requiring transplant, the rigors of the transplant procedure, as well as risks to the transplanted organ, there is a group of patients with EBV+ PTLD for whom chemotherapy may be inappropriate; however, there is limited information characterizing these patients. This study aimed to reach expert consensus on the key characteristics of patients for whom chemotherapy may be inappropriate in a real-world setting. Methods: A two-round modified Delphi study was conducted to reach consensus among clinicians with expertise treating EBV+ PTLD. Articles identified in a targeted literature review guided the development of round 1 and 2 topics and related statements. The consensus threshold for round 1 statements was 75.0%. If consensus was achieved in round 1, the statement was not discussed further in round 2. The consensus thresholds for round 2 were moderate (62.5–75.0%), strong (87.5%), or complete (100.0%). Results: The panel was composed of a total of eight clinicians (seven hematologists/hemato-oncologists) from six European countries. The panel generated a final list of 43 consensus recommendations on the following topics: terminology used to describe patients for whom chemotherapy may be inappropriate; demographic characteristics; organ transplant characteristics; comorbidities that preclude the use of chemotherapy; EBV+ PTLD characteristics; and factors related to treatment-related mortality and morbidity. Conclusions: This modified Delphi panel successfully achieved consensus on key topics and statements that characterized patients with EBV+ PTLD for whom chemotherapy may be inappropriate. These recommendations will inform clinicians and aid in the treatment of EBV+ PTLD

Density Functional Theory investigations of titanium gamma-surfaces and stacking faults

Properties of hcp-Ti such as elastic constants, stacking faults and gamma-surfaces are computed using Density Functional Theory (DFT) and two central force Embedded Atom interaction Models (EAM). The results are compared to previously published calculations and to predicting models. Their implications on the plastic properties of hcp-Ti are discussed.Comment: 12 pages, 3 figures, 3 table

Special electronic structures and quantum conduction of B/P co-doping carbon nanotubes under electric field using the first principle

Boron (B)/phosphorus (P) doped single wall carbon nanotubes (B-PSWNTs) are studied by using the First- Principle method based on density function theory (DFT). Mayer bond order, band structure, electrons density and density of states are calculated. It concludes that the B-PSWNTs have special band structure which is quite different from BN nanotubes, and that metallic carbon nanotubes will be converted to semiconductor due to boron/phosphorus co-doping which breaks the symmetrical structure. The bonding forms in B-PSWNTs are investigated in detail. Besides, Mulliken charge population and the quantum conductance are also calculated to study the quantum transport characteristics of B-PSWNT hetero-junction. It is found that the position of p-n junction in this hetero-junction will be changed as the applied electric field increase and it performs the characteristics of diode.Comment: 11 pages, 6 fiugres, 2 table

Dislocation Creep of Olivine: Backstress Evolution Controls Transient Creep at High Temperatures

Transient creep occurs during geodynamic processes that impose stress changes on rocks at high temperatures. The transient is manifested as evolution in the viscosity of the rocks until steady-state flow is achieved. Although several phenomenological models of transient creep in rocks have been proposed, the dominant microphysical processes that control such behavior remain poorly constrained. To identify the intragranular processes that contribute to transient creep of olivine, we performed stress-reduction tests on single crystals of olivine at temperatures of 1250–1300°C. In these experiments, samples undergo time‐dependent reverse strain after the stress reduction. The magnitude of reverse strain is ~10-3 and increases with increasing magnitude of the stress reduction. High-angular resolution electron backscatter diffraction analyses of deformed material reveal lattice curvature and heterogeneous stresses associated with the dominant slip system. The mechanical and microstructural data are consistent with transient creep of the single crystals arising from accumulation and release of backstresses among dislocations. These results allow the dislocation‐glide component of creep at high temperatures to be isolated, and we use these data to calibrate a flow law for olivine to describe the glide component of creep over a wide temperature range. We argue that this flow law can be used to estimate both transient creep and steady‐state viscosities of olivine, with the transient evolution controlled by the evolution of the backstress. This model is able to predict variability in the style of transient (normal versus inverse) and the load-relaxation response observed in previous work.LH and DW acknowledge support from the Natural Environment Research Council, grant NE/M000966/1, LH and CT acknowledge support from the Natural Environment Research Council, grant 1710DG008/JC4, and DW acknowledges support from the Netherlands Organisation for Scientific Research, User Support Programme Space Research, grant ALWGO.2018.038, and startup funds from Utrecht University. LH recognizes funds used to develop the uniaxial apparatus from the John Fell Fund at the University of Oxford