Factors contributing to the glass-forming ability of a simulated molecular liquid.

نویسندگان

  • Ulf R Pedersen
  • Peter Harrowell
چکیده

The time scales of crystallization of two model liquids, an atomic liquid and a molecular liquid of bent trimers originally introduced as a model of the glass the former o-terphenyl, are determined using molecular dynamics simulations. The molecular liquid is found to have a minimum crystallization time, on supercooling, that is 10(4) times larger than that of the atomic liquid. We present evidence that this enhanced glass-forming ability is due, in equal parts, to the slower dynamics and the larger crystal-liquid interfacial free energy in the molecular liquid.

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

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

بررسی دینامیک ملکولی شیشه فلورید Zr/Ba/Na در فشار جو و 4 گیگاپاسکال

  A constant volume, atmospheric pressure Zr/Ba/Na fluoride glass has been simulated by molecular dynamics with the limitations of the Born-Mayer-Huggins potentials, used previously and resulting in high simulation pressures, having been overcome. The simulated structure of this glass as well as its activation energy for diffusion are in very good agreement with those experimentally observed. T...

متن کامل

Growing correlation length on cooling below the onset of caging in a simulated glass-forming liquid.

We present a calculation of a fourth-order, time-dependent density correlation function that measures higher-order spatiotemporal correlations of the density of a liquid. From molecular dynamics simulations of a glass-forming Lennard-Jones liquid, we find that the characteristic length scale of this function has a maximum as a function of time which increases steadily beyond the characteristic ...

متن کامل

Interfacial Free Energy Controlling Glass-Forming Ability of Cu-Zr Alloys

Glass is a freezing phase of a deeply supercooled liquid. Despite its simple definition, the origin of glass forming ability (GFA) is still ambiguous, even for binary Cu-Zr alloys. Here, we directly study the stability of the supercooled Cu-Zr liquids where we find that Cu64Zr36 at a supercooled temperature shows deeper undercoolability and longer persistence than other neighbouring composition...

متن کامل

Formation of Bulk Metallic Glasses and Their Composites

A great expansion in the number of alloy compositions known to give bulk metallic glasses (BMGs) has occurred in recent years. This progress is reviewed, and factors contributing to glass-forming ability are discussed. Practical strategies for pinpointing compositions with optimum glass-forming ability are presented, with examples of their use. Consideration is also given to the wide range of p...

متن کامل

Similarities and Differences between the Glass Forming Mechanism in Polymers and Metallic Liquids

Survey of categorization of glass forming mechanisms in liquids based on the known principles reported in the literature is given. The metallic glass-forming liquids can be divided into two types – strong (with high glass forming ability) and fragile (with low glass forming ability). While the bulk amorphous alloys formed from strong liquids do not exhibit sensitivity to low temperature relaxat...

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

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

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • The journal of physical chemistry. B

دوره 115 48  شماره 

صفحات  -

تاریخ انتشار 2011