Quantified uncertainty in thermodynamic modeling for materials design

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Structure and Function Modeling with Quantified Uncertainty

Optimizing over complex functionals evaluated on geometric objects can be very difficult, especially when the objects are biological molecules that require atomic-level resolution. At this scale, minor fluctuations in atomic position or small minor angle perturbations can result in a drastically different solution. Performing accurate calculations for quantities of interest (QOIs) is essential ...

متن کامل

Materials in thermodynamic potential gradients *

In materials that are exposed to thermodynamic potential gradients (i.e., gradients of chemical potentials, electrical potential, temperature, or pressure), transport processes of the mobile components occur. These transport processes and the coupling between different processes are not only of fundamental interest, but are also the origin of degradation processes, such as kinetic demixing and ...

متن کامل

Thermodynamic Uncertainty Relations

Bohr and Heisenberg suggested that the thermodynamical quantities of temperature and energy are complementary in the same way as position and momentum in quantum mechanics. Roughly speaking, their idea was that a definite temperature can be attributed to a system only if it is submerged in a heat bath, in which case energy fluctuations are unavoidable. On the other hand, a definite energy can o...

متن کامل

Uncertainty Propagation in Heterogeneous Algebras for Approximate Quantified Constraint Solving

When trying to solve quanti ed constraints (i.e., rst-order formulas over the real numbers) exactly, one faces the following problems: First, constants coming from measurements are often only approximately given. Second, solving such constraints is in general undecidable and for special cases highly complex. Third, exact solutions are often extremely complicated symbolic expressions. In this pa...

متن کامل

Thermodynamic uncertainty relation for biomolecular processes.

Biomolecular systems like molecular motors or pumps, transcription and translation machinery, and other enzymatic reactions, can be described as Markov processes on a suitable network. We show quite generally that, in a steady state, the dispersion of observables, like the number of consumed or produced molecules or the number of steps of a motor, is constrained by the thermodynamic cost of gen...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Acta Materialia

سال: 2019

ISSN: 1359-6454

DOI: 10.1016/j.actamat.2019.05.017