Quantified Uncertainty in Thermodynamic Modeling for Materials Design

Phase fractions, compositions and energies of the stable phases as a function of macroscopic composition, temperature, and pressure (X-T-P) are the principle correlations needed for the design of new materials and improvement of existing materials. They are the outcomes of thermodynamic modeling based on the CALculation of PHAse Diagrams (CALPHAD) approach. The accuracy of CALPHAD predictions vary widely in X-T-P space due to experimental error, model inadequacy and unequal data coverage. In response, researchers have developed frameworks to quantify the uncertainty of thermodynamic property model parameters and propagate it to phase diagram predictions. In previous studies, uncertainty was represented as intervals on phase boundaries (with respect to composition) or invariant reactions (with respect to temperature) and was unable to represent the uncertainty in eutectoid reactions or in the stability of phase regions. In this work, we propose a suite of tools that leverages samples from the multivariate model parameter distribution to represent uncertainty in forms that surpass previous limitations and are well suited to materials design. These representations include the distribution of phase diagrams and their features, as well as the dependence of phase stability and the distributions of phase fraction, composition activity and Gibbs energy on X-T-P location - irrespective of the total number of components. Most critically, the new methodology allows the material designer to interrogate a certain composition and temperature domain and get in return the probability of different phases to be stable, which can positively impact materials design

Development of a tailored, telehealth intervention to address chronic pain and heavy drinking among people with HIV infection: integrating perspectives of patients in HIV care.

BACKGROUND: Chronic pain and heavy drinking commonly co-occur and can infuence the course of HIV. There have been no interventions designed to address both of these conditions among people living with HIV (PLWH), and none that have used telehealth methods. The purpose of this study was to better understand pain symptoms, patterns of alcohol use, treatment experiences, and technology use among PLWH in order to tailor a telehealth intervention that addresses these conditions SUBJECTS: Ten participants with moderate or greater chronic pain and heavy drinking were recruited from a cohort of patients engaged in HIV-care (Boston Alcohol Research Collaborative on HIV/AIDS Cohort) and from an integrated HIV/primary care clinic at a large urban hospital. METHODS: One-on-one interviews were conducted with participants to understand experiences and treatment of HIV, chronic pain, and alcohol use. Participants’ perceptions of the infuence of alcohol on HIV and chronic pain were explored as was motivation to change drinking. Technology use and treatment preferences were examined in the fnal section of the interview. Interviews were recorded, transcribed and uploaded into NVivo® v12 software for analysis. A codebook was developed based on interviews followed by thematic analysis in which specifc meanings were assigned to codes. RESULTS: A number of themes were identifed that had implications for intervention tailoring including: resilience in coping with HIV; autonomy in health care decision-making; coping with pain, stress, and emotion; understanding treatment rationale; depression and social withdrawal; motives to drink and refrain from drinking; technology use and capacity; and preference for intervention structure and style. Ratings of intervention components indicated that participants viewed each of the proposed intervention content areas as “helpful” to “very helpful”. Videoconferencing was viewed as an acceptable modality for intervention delivery CONCLUSIONS: Results helped specify treatment targets and provided information about how to enhance intervention delivery. The interviews supported the view that videoconferencing is an acceptable telehealth method of addressing chronic pain and heavy drinking among PLWH.UH2 AA026192 - NIAAA NIH HHSPublished versio

Additively manufactured Ni-20Cr to V functionally graded material: computational predictions and experimental verification of phase formations

A database for the Cr-Ni-V system was constructed by modeling the binary Cr-V and ternary Cr-Ni-V systems using the CALPHAD approach aided by density functional theory (DFT)-based first-principles calculations and ab initio molecular dynamics (AIMD) simulations. To validate this new database, a functionally graded material (FGM) using Ni-20Cr and elemental V was fabricated using directed energy deposition additive manufacturing (DED AM) and experimentally characterized. The deposited Ni-20Cr was pure fcc phase, while increasing the amount of V across the gradient resulted in the formation of sigma phase, followed by the bcc phase. The experimentally measured phase data was compared with computational predictions made using a Cr-Ni-V thermodynamic database from the literature as well as the database developed in the present work. The newly developed database was shown to better predict the experimentally observed phases due to its accurate modeling of binary systems within the database and the ternary liquid phase, which is critical for accurate Scheil calculations

Developing Gradient Metal Alloys through Radial Deposition Additive Manufacturing

Interest in additive manufacturing (AM) has dramatically expanded in the last several years, owing to the paradigm shift that the process provides over conventional manufacturing. Although the vast majority of recent work in AM has focused on three-dimensional printing in polymers, AM techniques for fabricating metal alloys have been available for more than a decade. Here, laser deposition (LD) is used to fabricate multifunctional metal alloys that have a strategically graded composition to alter their mechanical and physical properties. Using the technique in combination with rotational deposition enables fabrication of compositional gradients radially from the center of a sample. A roadmap for developing gradient alloys is presented that uses multi-component phase diagrams as maps for composition selection so as to avoid unwanted phases. Practical applications for the new technology are demonstrated in low-coefficient of thermal expansion radially graded metal inserts for carbon-fiber spacecraft panels

Challenges of a Sustained Climate Observing System

Observations of planet Earth and especially all climate system components and forcings are increasingly needed for planning and informed decision making related to climate services in the broadest sense. Although significant progress has been made, much more remains to be done before a fully functional and dependable climate observing system exists. Observations are needed on spatial scales from local to global, and all time scales, especially to understand and document changes in extreme events. Climate change caused by human activities adds a new dimension and a vital imperative: to acquire climate observations of sufficient quality and coverage, and analyze them into products for multiple purposes to inform decisions for mitigation, adaptation, assessing vulnerability and impacts, possible geoengineering, and predicting climate variability and change and their consequences. A major challenge is to adequately deal with the continually changing observing system, especially from satellites and other remote sensing platforms such as in the ocean, in order to provide a continuous climate record. Even with new computational tools, challenges remain to provide adequate analysis, processing, meta-data, archival, access, and management of the resulting data and the data products. As volumes of data continue to grow, so do the challenges of distilling information to allow us to understand what is happening and why, and what the implications are for the future. The case is compelling that prompt coordinated international actions are essential to provide for information-based actions and decisions related to climate variability and change

Quantified Uncertainty in Thermodynamic Modeling for Materials Design

Phase fractions, compositions and energies of the stable phases as a function of macroscopic composition, temperature, and pressure (X-T-P) are the principle correlations needed for the design of new materials and improvement of existing materials. They are the outcomes of thermodynamic modeling based on the CALculation of PHAse Diagrams (CALPHAD) approach. The accuracy of CALPHAD predictions vary widely in X-T-P space due to experimental error, model inadequacy and unequal data coverage. In response, researchers have developed frameworks to quantify the uncertainty of thermodynamic property model parameters and propagate it to phase diagram predictions. In most previous studies, uncertainty was represented as intervals on phase boundaries (with respect to composition or temperature) and was unable to represent the uncertainty in invariant reactions or in the stability of phase regions. In this work, we propose a suite of tools that leverages samples from the multivariate model parameter distribution to represent uncertainty in forms that surpass previous limitations and are well suited to materials design. These representations include the distribution of phase diagrams and their features, as well as the dependence of phase stability and the distributions of phase fraction, composition, activity and Gibbs energy on X-T-P location - irrespective of the total number of components. Most critically, the new methodology allows the material designer to interrogate a certain composition and temperature domain and get in return the probability of different phases to be stable, which can positively impact materials design

Sixty Years of CA: A Cancer Journal for Clinicians

The first issue of CA: A Cancer Journal for Clinicians was published in November of 1950. On the 60th anniversary of that date, we briefly review several seminal contributions to oncology and cancer control published in our journal during its first decade. CA Cancer J Clin 2010. © 2010 American Cancer Society, Inc.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/78301/1/20088_ftp.pd

Recommendations of the task force on public policy

This is the published version, reproduced here with permission from the publisher. This article is also available electronically from http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2741851/.The Task Force on Public Policy was established by the Association for Behavior Analysis to examine ways to encourage members to contribute to policymaking relevant to the public interest. Members discussed issues pertinent to this activity and summarized their discussion in a formal report.' Recommendations of the Task Force for conducting and disseminating policy research and for training, technical assistance, and other services supportive of behavior-analytic research in the public policy arena are presented here