Nuclear quantum effects in solids using a colored-noise thermostat

We present a method, based on a non-Markovian Langevin equation, to include quantum corrections to the classical dynamics of ions in a quasi-harmonic system. By properly fitting the correlation function of the noise, one can vary the fluctuations in positions and momenta as a function of the vibrational frequency, and fit them so as to reproduce the quantum-mechanical behavior, with minimal a priori knowledge of the details of the system. We discuss the application of the thermostat to diamond and to ice Ih. We find that results in agreement with path-integral molecular dynamics can be obtained using only a fraction of the computational effort.Comment: submitted for publicatio

Quantum Fluctuations Driven Orientational Disordering: A Finite-Size Scaling Study

The orientational ordering transition is investigated in the quantum generalization of the anisotropic-planar-rotor model in the low temperature regime. The phase diagram of the model is first analyzed within the mean-field approximation. This predicts at $T=0$ a phase transition from the ordered to the disordered state when the strength of quantum fluctuations, characterized by the rotational constant $\Theta$, exceeds a critical value $\Theta_{\rm c}^{MF}$. As a function of temperature, mean-field theory predicts a range of values of $\Theta$ where the system develops long-range order upon cooling, but enters again into a disordered state at sufficiently low temperatures (reentrance). The model is further studied by means of path integral Monte Carlo simulations in combination with finite-size scaling techniques, concentrating on the region of parameter space where reentrance is predicted to occur. The phase diagram determined from the simulations does not seem to exhibit reentrant behavior; at intermediate temperatures a pronounced increase of short-range order is observed rather than a genuine long-range order.Comment: 27 pages, 8 figures, RevTe

Marx, the labour theory of value and the transformation problem

This article reconsiders what Marx says about the transformation problem in Chapter IX of Capital Volume III, in the light of Marx's claim, made in Capital Volume I, that the value of a commodity is determined by the socially necessary labour time that goes into its production. The article criticises the traditional way of thinking about the transformation problem, according to which what Marx is doing in Chapter IX is considering the transformation of values into prices ('prices of production'). I argue that Marx's prices of production may be thought of as modified values. The discussion in Chapter IX is usually seen as a supplement to the labour theory of value. On this view its purpose is to explain how and why the prices of commodities sometimes deviate from their values. Against this view, the paper argues that Marx's remarks in Chapter IX can be seen as an elaboration on or development of the labour theory of value. It is a refinement of the account offered in Capital Volume I, which takes into consideration what Marx had in mind there when he introduced the notion of socially necessary as opposed to actual labour-time. The paper draws attention to the importance of Marx's distinction between the individual value of a commodity (determined by actual labour-time) and its social value (determined by socially necessary labour-time). It also draws attention to the methodological difficulties that are generated by any attempt to read Marx in this way

Cultural relativism and the discourse of intercultural communication: aporias of praxis in the intercultural public sphere

The premise of much intercultural communication pedagogy and research is to educate people from different cultures towards open and transformative positions of mutual understanding and respect. This discourse in the instance of its articulation realises and sustains Intercultural Communication epistemologically – as an academic field of social enquiry, and judgementally – as one which locates itself on a moral terrain. By adopting an ethical stance towards difference, the discourse of intercultural communication finds itself caught in a series of aporias, or performative contradictions, where interculturalists are projected simultaneously into positions of cultural relativism on the one hand and ideological totalism on the other. Such aporias arise because the theoretical premises upon which the discourse relies are problematic. We trace these thematics to a politics of presence operating within the discourse of intercultural communication and links this to questions of judgement and truth in the intercultural public sphere. We propose that the politics of presence be set aside in favour of an intercultural praxis which is oriented to responsibility rather than to truth

Patterning and process parameter effects in 3D suspension near-field electrospinning of nanoarrays

The extracellular matrix (ECM) contains nanofibrous proteins and proteoglycans. Nanofabrication methods have received growing interest in recent years as a means of recapitulating these elements within the ECM. Near-field electrospinning (NFES) is a versatile fibre deposition method, capable of layer-by-layer nano-fabrication. The maximum layer height is generally limited in layer-by-layer NFES as a consequence of electrostatic effects of the polymer at the surface, due to residual charge and polymer dielectric properties. This restricts the total volume achievable by layer-by-layer techniques. Surpassing this restriction presents a complex challenge, leading to research innovations aimed at increasing patterning precision, and achieving a translation from 2D to 3D additive nanofabrication. Here we investigated a means of achieving this translation through the use of 3D electrode substrates. This was addressed by in-house developed technology in which selective laser melt manufactured standing pillar electrodes were combined with a direct suspension near-field electrospinning (SNFES) technique, which implements an automated platform to manoeuvre the pillar electrodes around the emitter in order to suspend fibres in the free space between the electrode support structures. In this study SNFES was used in multiple operation modes, investigating the effects of varying process parameters, as well as pattern variations on the suspended nanoarrays. Image analysis of the nanoarrays allowed for the assessment of fibre directionality, isotropy, and diameter; identifying optimal settings to generate fibres for tissue engineering applications

The Millennium Arecibo 21-CM Absorption Line Survey. II. Properties of the Warm and Cold Neutral Media

We use the Gaussian-fit results of Paper I to investigate the properties of interstellar HI in the Solar neighborhood. The Warm and Cold Neutral Media (WNM and CNM) are physically distinct components. The CNM spin temperature histogram peaks at about 40 K. About 60% of all HI is WNM. At z=0, we derive a volume filling fraction of about 0.50 for the WNM; this value is very rough. The upper-limit WNM temperatures determined from line width range upward from about 500 K; a minimum of about 48% of the WNM lies in the thermally unstable region 500 to 5000 K. The WNM is a prominent constituent of the interstellar medium and its properties depend on many factors, requiring global models that include all relevant energy sources, of which there are many. We use Principal Components Analysis, together with a form of least squares fitting that accounts for errors in both the independent and dependent parameters, to discuss the relationships among the four CNM Gaussian parameters. The spin temperature T_s and column density N(HI) are, approximately, the two most important eigenvectors; as such, they are sufficient, convenient, and physically meaningful primary parameters for describing CNM clouds. The Mach number of internal macroscopic motions for CNM clouds is typically 2.5, but there are wide variations. We discuss the historical tau-T_s relationship in some detail and show that it has little physical meaning. We discuss CNM morphology using the CNM pressure known from UV stellar absorption lines. Knowing the pressure allows us to show that CNM structures cannot be isotropic but instead are sheetlike, with length-to-thickness aspect ratios ranging up to about 280. We present large-scale maps of two regions where CNM lies in very large ``blobby sheets''.Comment: Revised submission to Ap.J. Changes include: (1) correction of turbulent Mach number in equation 16 and figure 12; the new typical value is 1.3 versus the old, incorrect value 2.5. (2) smaller typeface for the astro-ph version to conserve paper. 60 pages, 16 figure

Diagnostic Accuracy and Acceptability of the Primary Care Posttraumatic Stress Disorder Screen for the Diagnostic and Statistical Manual of Mental Disorders (Fifth Edition) among US Veterans

Importance: Posttraumatic stress disorder (PTSD) is a serious mental health disorder that can be effectively treated with empirically based practices. PTSD screening is essential for identifying undetected cases and providing patients with appropriate care. Objective: To determine whether the Primary Care PTSD screen for the Diagnostic and Statistical Manual of Mental Disorders (Fifth Edition) (PC-PTSD-5) is a diagnostically accurate and acceptable measure for use in Veterans Affairs (VA) primary care clinics. Design, Setting, and Participants: This cross-sectional, diagnostic accuracy study enrolled participants from May 19, 2017, to September 26, 2018. Participants were recruited from primary care clinics across 2 VA Medical Centers. Session 1 was conducted in person, and session 2 was completed within 30 days via telephone. A consecutive sample of 1594 veterans, aged 18 years or older, who were scheduled for a primary care visit was recruited. Data analysis was performed from March 2019 to August 2020. Exposures: In session 1, participants completed a battery of questionnaires. In session 2, a research assistant administered the PC-PTSD-5 to participants, and then a clinician assessor blind to PC-PTSD-5 results conducted a structured diagnostic interview for PTSD. Main Outcomes and Measures: The range of PC-PTSD-5 cut points overall and across gender was assessed, and diagnostic performance was evaluated by calculating weighted κ values. Results: In total, 495 of 1594 veterans (31%) participated, and 396 completed all measures and were included in the analyses. Participants were demographically similar to the VA primary care population (mean [SD] age, 61.4 [15.5] years; age range, 21-93 years) and were predominantly male (333 participants [84.1%]) and White (296 of 394 participants [75.1%]). The PC-PTSD-5 had high levels of diagnostic accuracy for the overall sample (area under the receiver operating characteristic curve [AUC], 0.927; 95% CI, 0.896-0.959), men (AUC, 0.932; 95% CI, 0.894-0.969), and women (AUC, 0.899, 95% CI, 0.824-0.974). A cut point of 4 ideally balanced false negatives and false positives for the overall sample and for men. However, for women, this cut point resulted in high numbers of false negatives (6 veterans [33.3%]). A cut point of 3 fit better for women, despite increasing the number of false positives. Participants rated the PC-PTSD-5 as highly acceptable. Conclusions and Relevance: The PC-PTSD-5 is an accurate and acceptable screening tool for use in VA primary care settings. Because performance parameters will change according to sample, clinicians should consider sample characteristics and screening purposes when selecting a cut point